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1.
Neuropediatrics ; 50(2): 122-125, 2019 04.
Article in English | MEDLINE | ID: mdl-30650451

ABSTRACT

CASE: We report a 15-year-old Indian girl born to a consanguineous couple, who presented with epilepsy, developmental delay, neuroregression, and episodes of alternating hemiparesis. In addition, she had one episode of rhabdomyolysis at the age of 7 years. Extensive genetic and metabolic work up through the years was unrevealing. Eventually a trio whole exome sequencing (WES) revealed homozygous single nucleotide variants in TANGO2 gene. DISCUSSION: TANGO2 related recurrent metabolic crises with encephalomyopathy and cardiac arrhythmias were described very recently and only 15 cases were reported in literature at the time of writing. Alternating hemiplegia of childhood which was seen in our patient, has not been described in previous patients with TANGO2 mutation, and thereby expands the emerging phenotypic spectrum of this novel entity. This report also reiterates the utility of WES in diagnosing newly recognized neurogenetic conditions.


Subject(s)
Aryl Hydrocarbon Receptor Nuclear Translocator/genetics , Genetic Variation/genetics , Hemiplegia/diagnostic imaging , Hemiplegia/genetics , Phenotype , Polymorphism, Single Nucleotide/genetics , Adolescent , Female , Homozygote , Humans
2.
Heart Lung Circ ; 26(6): 612-618, 2017 Jun.
Article in English | MEDLINE | ID: mdl-27916589

ABSTRACT

BACKGROUND: Cardiac rhythm abnormalities are a leading cause of morbidity and mortality in developed countries. Loss-of-function variants in the ANK2 gene can cause a variety of cardiac rhythm abnormalities including sinus node dysfunction, atrial fibrillation and ventricular arrhythmias (called the "ankyrin-B syndrome"). ANK2 encodes ankyrin-B, a molecule critical for the membrane targeting of key cardiac ion channels, transporters, and signalling proteins. METHODS AND RESULTS: Here, we describe a family with a reciprocal chromosomal translocation between chromosomes 4q25 and 9q26 that transects the ANK2 gene on chromosome 4 resulting in loss-of-function of ankyrin-B. Select family members with ankyrin-B haploinsufficiency due to the translocation displayed clinical features of ankyrin-B syndrome. Furthermore, evaluation of primary lymphoblasts from a carrier of the translocation showed altered levels of ankyrin-B as well as a reduced expression of downstream ankyrin-binding partners. CONCLUSIONS: Thus, our data conclude that, similar to previously described ANK2 loss-of-function "point mutations", large chromosomal translocations resulting in ANK2 haploinsufficiency are sufficient to cause the human cardiac ankyrin-B syndrome. The unexpected ascertainment of ANK2 dysfunction via the discovery of a chromosomal translocation in this family, the determination of the familial phenotype, as well as the complexities in formulating screening and treatment strategies are discussed.


Subject(s)
Ankyrins/genetics , Arrhythmias, Cardiac/genetics , Chromosomes, Human, Pair 4/genetics , Chromosomes, Human, Pair 9/genetics , Haploinsufficiency , Translocation, Genetic , Abnormalities, Multiple/genetics , Abnormalities, Multiple/physiopathology , Adult , Arrhythmias, Cardiac/physiopathology , Family , Female , Fetal Diseases/genetics , Fetal Diseases/physiopathology , Humans , Male , Pregnancy
3.
Phys Rev Lett ; 116(25): 257204, 2016 Jun 24.
Article in English | MEDLINE | ID: mdl-27391749

ABSTRACT

The low energy spin excitation spectrum of the breathing pyrochlore Ba_{3}Yb_{2}Zn_{5}O_{11} has been investigated with inelastic neutron scattering. Several nearly resolution limited modes with no observable dispersion are observed at 250 mK while, at elevated temperatures, transitions between excited levels become visible. To gain deeper insight, a theoretical model of isolated Yb^{3+} tetrahedra parametrized by four anisotropic exchange constants is constructed. The model reproduces the inelastic neutron scattering data, specific heat, and magnetic susceptibility with high fidelity. The fitted exchange parameters reveal a Heisenberg antiferromagnet with a very large Dzyaloshinskii-Moriya interaction. Using this model, we predict the appearance of an unusual octupolar paramagnet at low temperatures and speculate on the development of intertetrahedron correlations.

4.
Phys Chem Chem Phys ; 18(18): 13010-7, 2016 05 14.
Article in English | MEDLINE | ID: mdl-27109006

ABSTRACT

This paper presents the preparation of carbon composite Fe16N2 powders, and the influence of a protective carbon coating on the yield and magnetic properties of Fe16N2. Nanoparticle precursors with and without carbon were reacted under ammonia gas flow to produce Fe16N2. Neutron and X-ray powder diffraction indicate that the powders contain typically 40-60% Fe16N2, with the remaining phases being unreacted iron, Fe4N or Fe3N. Transmission electron microscopy demonstrates that the carbon coating is effective at reducing the level of sintering of Fe nanoparticles during the reduction stage prior to ammonolysis. XPS results support the retention of a carbon coating on the surface after ammonolysis, and that there is Fe-C bonding present at the particle surface. In situ TEM was used to observe loss of ordering in the nitrogen sublattice of carbon composite Fe16N2 powders in the range of 168 °C to 200 °C. Magnetic susceptibility measurements show maximum values for saturation magnetization in the range of 232 emu g(-1), and for coercivity near 930 Oe, for different samples measured up to 2 T applied field at 300 K.

5.
Pediatr Res ; 75(3): 443-7, 2014 Mar.
Article in English | MEDLINE | ID: mdl-24321989

ABSTRACT

BACKGROUND: We had previously shown that arcuate fasciculus is poorly developed in patients with intellectual and developmental disabilities (IDD) using diffusion tensor imaging (DTI). In the present study, we used exome sequencing to identify the candidate variants in IDD patients with and without DTI abnormalities. METHODS: Eighteen children with IDD (age: 67 ± 36 mo, 9 females) were included in the present study. The DTI was used to determine the integrity of arcuate fasciculus. The next-generation sequencing was performed on the Solid 4 platform. A novel, analytical strategy was developed to identify a set of candidate genes of interest. We then searched for novel, nonsynonymous variants in the patients within this subset of genes and in known IDD genes. RESULTS: Seven novel, nonsynonymous (all of them were heterozygous, missense) variants belonged to ultraconserved genes that are known to cause abnormal brain morphology in mutant mice. Similarly, three novel, nonsynonymous (all of them were heterozygous, missense) variants belonged to known IDD genes. Two patients with underdeveloped arcuate fasciculus had novel, nonsynonymous variants in genes (MID1 and EN2) regulating axon guidance pathway. CONCLUSION: Exome sequencing identified several new genetic causes of IDD.


Subject(s)
Brain/pathology , Developmental Disabilities/diagnosis , Developmental Disabilities/genetics , Diffusion Tensor Imaging/methods , Exome/genetics , Base Sequence , Child , Child, Preschool , Cohort Studies , High-Throughput Nucleotide Sequencing , Homeodomain Proteins/genetics , Humans , Microtubule Proteins/genetics , Molecular Sequence Data , Nerve Tissue Proteins/genetics , Nuclear Proteins/genetics , Polymorphism, Single Nucleotide/genetics , Sequence Alignment , Transcription Factors/genetics , Ubiquitin-Protein Ligases
6.
PLoS One ; 19(3): e0299238, 2024.
Article in English | MEDLINE | ID: mdl-38483871

ABSTRACT

BACKGROUND: Currently, there is no antiviral medication for dengue, a potentially fatal tropical infectious illness spread by two mosquito species, Aedes aegypti and Aedes albopictus. The RdRp protease of dengue virus is a potential therapeutic target. This study focused on the in silico drug discovery of RdRp protease inhibitors. METHODS: To assess the potential inhibitory activity of 29 phenolic acids from Theobroma cacao L. against DENV3-NS5 RdRp, a range of computational methods were employed. These included docking, drug-likeness analysis, ADMET prediction, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations. The aim of these studies was to confirm the stability of the ligand-protein complex and the binding pose identified during the docking experiment. RESULTS: Twenty-one compounds were found to have possible inhibitory activities against DENV according to the docking data, and they had a binding affinity of ≥-37.417 kcal/mol for DENV3- enzyme as compared to the reference compound panduratin A. Additionally, the drug-likeness investigation produced four hit compounds that were subjected to ADMET screening to obtain the lead compound, catechin. Based on ELUMO, EHOMO, and band energy gap, the DFT calculations showed strong electronegetivity, favouravle global softness and chemical reactivity with considerable intra-molecular charge transfer between electron-donor to electron-acceptor groups for catechin. The MD simulation result also demonstrated favourable RMSD, RMSF, SASA and H-bonds in at the binding pocket of DENV3-NS5 RdRp for catechin as compared to panduratin A. CONCLUSION: According to the present findings, catechin showed high binding affinity and sufficient drug-like properties with the appropriate ADMET profiles. Moreover, DFT and MD studies further supported the drug-like action of catechin as a potential therapeutic candidate. Therefore, further in vitro and in vivo research on cocoa and its phytochemical catechin should be taken into consideration to develop as a potential DENV inhibitor.


Subject(s)
Aedes , Cacao , Catechin , Chalcones , Dengue , Animals , Peptide Hydrolases , Molecular Dynamics Simulation , Catechin/pharmacology , Endopeptidases , Phenols , RNA-Dependent RNA Polymerase , Molecular Docking Simulation
7.
J Biomol Struct Dyn ; : 1-12, 2024 Mar 23.
Article in English | MEDLINE | ID: mdl-38520169

ABSTRACT

Interleukin-6 (IL-6) is a cytokine that involved in the different phases of wound healing. It is responsible for promoting inflammation, regulating tissue repair scar formation, stimulating the production of extracellular matrix components and recruiting immune cells to the wound site. Therefore, suppressing IL-6 is beneficial for wound healing. However, no small molecules are currently available in the market against the IL-6. As a result, this research gap motivates us to find a potential inhibitor. This study aimed to investigate the wound healing potential of novel ß-cycloidal-derived mono-carbonyl curcumin analogs reported in the literature through screening a series of computational studies. The calculated pIC50 value of 18 compounds (below 10) showed that all compounds may have potential therapeutic efficacy. Molecular docking studies revealed that compound C12 (-45.6044 kcal/mol) bound most strongly in the active site of IL-6 compared to the FDA-approved drug clindamycin (-42.3223). The Molecular Dynamic (MD) simulation displayed that lead compound C12 had the highest stability in the active site of IL-6 compared to the reference drug clindamycin. Furthermore, MMGBSA results indicated that C12 (-20.28 kcal/mol) had the highest binding energy compared to clindamycin (-8.36 kcal/mol). The ADMET analysis predicted that C12 are favourable for drug candidates. This study recommended compound C12 as a lead IL-6 inhibitor for future testing and development as therapeutics for wound healing.Communicated by Ramaswamy H. Sarma.

8.
Heliyon ; 10(3): e25430, 2024 Feb 15.
Article in English | MEDLINE | ID: mdl-38333859

ABSTRACT

Synthesis of nanoparticles through the green approach using plant and vegetable extracts has gained popularity since they are thought to be efficient and cost-effective materials. This study is designed to synthesize zinc oxide nanoparticles (ZnO-NPs) from onion waste peel extract (Allium cepa L.) via the green synthesis approach. The synthesized ZnO-NPs were characterized by utilizing the UV-Vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), Energy Dispersive X-ray (EDX), Field Emission Scanning Electron Microscopy (FE-SEM) and X-ray Powder Diffraction (XRD)techniques. The nanoparticles formation was confirmed by the UV-Vis sharp absorption spectra at 318 and 322 nm. The synthesized ZnO-NPs size and shape was revealed by the XRD and SEM respectively. Smallest nanoparticle average crystallite size was found 57.38 nm with hexagonal shape. The bioactive functional groups that are in charge of capping and stabilizing the ZnO-NPs was assured by the FTIR data. Further, prepared ZnO-NPs were used to assess their possible antioxidant and antibacterial properties. DPPH test for free radical scavenging showed potential antioxidant properties of the synthesized ZnO-NPs. The antibacterial activity were studied against three clinical strains: P. aeruginosa, E. coli, and S. aureus with the maximum zone of inhibition 13.17 mm, 22.00 mm and 12.35 mm respectively at 100 µg/mL subsequently minimum inhibitory concentration was found 50 µg/mL for P. aeruginosa, and S. aureus whereas 100 µg/mL for E. coli. Antioxidant and antibacterial activity tests appear bio-resource based ZnO-NPs from Allium cepa L. extract have effects on free radical and growth of microorganisms.Therefore, it could be a promising candidates for agricultural and food safety applications as an effective antimicrobial agent against pathogenic microorganisms and also can address future biomedical applications after complete in vivo study.

9.
Bangladesh Med Res Counc Bull ; 39(2): 69-73, 2013 Aug.
Article in English | MEDLINE | ID: mdl-24930195

ABSTRACT

Salivary gland tumours are relatively uncommon and most of the tumours arise from parotid gland. Fine needle aspiration cytology (FNAC) is advised preoperatively as diagnostic tool but sometimes found to shown both false positive and false negative results. This study was aimed to find out distribution of neoplasm of major salivary glands and also to explore the sensitivity and specificity of FNAC. The present cross sectional study was done in the Dept. of Otolaryngology Head and Neck Surgery, BSMMU from January 2007 to December 2008. A total number of 60 gender-matched patients with major salivary neoplasm, confirmed by FNAC, were recruited in the study. Operated salivary gland specimens were sent for histopathological examination, histopathological findings were compared. Overall male to female ratio was 1:1. Out of 60 cases, 47 (78.3%) patients had parotid and 13 (21.7%) patients submandibular gland neoplasm. Male to female ratio for parotid tumour was 1:1.1 and for submandibular 1.6:1. Mean age of the patients was 44.5 with range of 14-85 years. Of the total 60 cases 47 (78.3%) were benign and 13 (21.7%) malignant. Out of 47 parotid tumour 85.1% were benign and 14.9% malignant. Among the parotid tumour 97% were superficial lobe and 3.0% deep lobe. In case of submandibular gland 53.84% were benign and 46.15% tumour malignant. According to the sides of involvement, 25 (53.2%) cases of parotid neoplasm tumour were in the left and 22 (46.8%) the right. In submandibular gland the distribution was 7 (53.8%) and 6 (46.16%) respectively. Statistically incidence of parotid tumour was significantly higher than submandibular tumour (p < 0.05). Out of 60 cases in 56 (93.3%) preoperative FNAC and postoperative histopathological findings were same. There was 1.7% false positive and 5% were false negative results. Sensitivity, specificity of FNAC were 80% and 97.8% respectively. Positive predictive value was 92.3% and negative predictive 93.6% for FNAC.FNAC though cheap and safe but its diagnostic accuracy was 93.3%.Histopathologial examination remained to be of value for diagnostic confirmation of major salivary gland neoplasm.


Subject(s)
Biopsy, Fine-Needle/standards , Parotid Neoplasms/pathology , Salivary Glands/pathology , Submandibular Gland Neoplasms/pathology , Adolescent , Adult , Aged , Aged, 80 and over , Bangladesh , Cross-Sectional Studies , Female , Humans , Male , Middle Aged , Sensitivity and Specificity , Tertiary Care Centers , Young Adult
10.
Georgian Med News ; (224): 55-62, 2013 Nov.
Article in English | MEDLINE | ID: mdl-24323966

ABSTRACT

Vibrio cholerae is ubiquitous in aquatic environment inhabiting marine, fresh and brackish waters. V. cholerae serotypes O1 and O139 cause the devastating diarrheal disease cholera, which is often fatal without proper treatment. Little is known regarding the abundance and diversity of clinically important nonhalophilic vibrios in the South Caucasus region, particularly in Georgia. Here we provide the data on the Georgian environmental strains of V. cholerae isolated in 2006-2009 years from the coastal waters of the Black Sea and inland water reservoirs near Tbilisi. In total, 846 V. cholerae strains were collected from the water samples, most of them (705 strains) obtained from fresh water lakes. Isolation pattern of V. cholerae showed obvious seasonality with the highest isolation rates in late summer - early autumn. Twenty-nine isolates of V. cholerae were attributed to the O1 serotype based on serological studies and PCR identification and were further grouped by biochemical properties into classical and El Tor biotypes as well as hybrids. The study of antibiotic susceptibility profiles for V. cholerae isolates showed that 95% were sensitive to tetracycline, 91% to doxycycline, and 91% to ciprofloxacin. Interestingly, the freshwater isolates appeared to be more resistant to antibiotics than the Black Sea isolates. Among Black Sea isolates of V. cholerae toxigenic strains of O1 serotype revealed higher antibiotic resistance compared to non- O1/non-O139 isolates. In addition, V. cholerae O1 and non- O1/non-O139 isolates differed by phage susceptibility profiles, with higher diversity within the population of environmental non-O1/non-O139 V. cholerae isolates.


Subject(s)
Cholera/microbiology , Vibrio cholerae/genetics , Vibrio cholerae/isolation & purification , Bacteriophages/genetics , Cholera/epidemiology , Cholera/genetics , Disease Outbreaks , Georgia (Republic) , Humans , Serotyping/methods , Vibrio cholerae/pathogenicity , Water Microbiology
11.
Mol Biotechnol ; 2023 Feb 08.
Article in English | MEDLINE | ID: mdl-36752937

ABSTRACT

The infection produced by the SARS-CoV-2 virus remains a significant health crisis worldwide. The lack of specific medications for COVID-19 necessitates a concerted effort to find the much-desired therapies for this condition. The main protease (Mpro) of SARS-CoV-2 is a promising target, vital for virus replication and transcription. In this study, fifty pyrazole derivatives were tested for their pharmacokinetics and drugability, resulting in eight hit compounds. Subsequent molecular docking simulations on SARS-CoV-2 main protease afforded two lead compounds with strong affinity at the active site. Additionally, the molecular dynamics (MD) simulations of lead compounds (17 and 39), along with binding free energy calculations, were accomplished to validate the stability of the docked complexes and the binding poses achieved in docking experiments. Based on these findings, compound 17 and 39, with their favorable projected pharmacokinetics and pharmacological characteristics, are the proposed potential antiviral candidates which require further investigation to be used as anti-SARS-CoV-2 medication.

12.
Mymensingh Med J ; 32(3): 671-676, 2023 Jul.
Article in English | MEDLINE | ID: mdl-37391958

ABSTRACT

Outcome of acute ST-elevation myocardial infarction patients varies time to time. The present study was intended to find out the short-term treatment outcome of the patients admitted in hospital. This descriptive study was carried out in Bangabandhu Sheikh Mujib Medical University (BSMMU), Dhaka, Bangladesh from 15 January 2014 to 14 July 2014. A total of 100 patients admitted with Acute ST-elevation Myocardial Infarction confirmed on the presence of the (a) Typical chest pain of acute ST-elevation Myocardial Infarction (b) Electrocardiogram (ECG) evidence of ST segment elevation in two or more contiguous leads (c) Raised cardiac marker (Troponin I) were included in the study. Patients were randomly enrolled according to the inclusion and exclusion criteria and observe for one week. Data were processed and analyzed by using computer bases software SPSS version 19.0. Descriptive statistical methods were applied for data analysis. P value was considered as statistically significant when it is less than 0.05. Short-term treatment outcome of acute ST-elevation myocardial infarction include mechanical, arrhythmic, ischemic and inflammatory sequelae, as well as left ventricular mural thrombus. In addition to these broad categories, heart failure, arrhythmia, death are other common complications of AMI. The initiation of the complications usually results in explicit sign and symptoms of the acute MI patients. Learning of the complications in the post infarction period and the clinical syndromes develop with each complication, will allow the health care worker to evaluate and manage the complication appropriately.


Subject(s)
ST Elevation Myocardial Infarction , Humans , ST Elevation Myocardial Infarction/therapy , Tertiary Care Centers , Bangladesh , Treatment Outcome , Arrhythmias, Cardiac
13.
J Biomol Struct Dyn ; 41(21): 12186-12203, 2023.
Article in English | MEDLINE | ID: mdl-36645141

ABSTRACT

Dengue fever is a significant public health concern throughout the world, causing an estimated 500,000 hospitalizations and 20,000 deaths each year, despite the lack of effective therapies. The DENV-2 RdRp has been identified as a potential target for the development of new and effective dengue therapies. This research's primary objective was to discover an anti-DENV inhibitor using in silico ligand- and structure-based approaches. To begin, a ligand-based pharmacophore model was developed, and 130 distinct natural products (NPs) were screened. Docking of the pharmacophore-matched compounds were performed to the active site of DENV-2 RdRp protease . Eleven compounds were identified as potential DENV-2 RdRp inhibitors based on docking energy and binding interactions. ADMET and drug-likeness were done to predict their pharmacologic, pharmacokinetic, and drug-likeproperties . Compounds ranked highest in terms of pharmacokinetics and drug-like appearances were then subjected to additional toxicity testing to determine the leading compound. Additionally, MD simulation of the lead compound was performed to confirm the docked complex's stability and the binding site determined by docking. As a result, the lead compound (compound-108) demonstrated an excellent match to the pharmacophore, a strong binding contact and affinity for the RdRp enzyme, favourable pharmacokinetics, and drug-like characteristics. In summary, the lead compound identified in this study could be a possible DENV-2 RdRp inhibitor that may be further studied on in vitro and in vivo models to develop as a drug candidate.Communicated by Ramaswamy H. Sarma.


Subject(s)
Biological Products , Pharmacophore , Molecular Docking Simulation , Biological Products/pharmacology , Ligands , RNA-Dependent RNA Polymerase , Molecular Dynamics Simulation
14.
J Biomol Struct Dyn ; : 1-12, 2023 Sep 07.
Article in English | MEDLINE | ID: mdl-37676311

ABSTRACT

Dengue fever is now one of the major global health concerns particularly for tropical and sub-tropical countries. However, there has been no FDA approved medication to treat dengue fever. Researchers are looking into DENV NS5 RdRp protease as a potential therapeutic target for discovering effective anti-dengue agents. The aim of this study to discover dengue virus inhibitor from a set of five compounds from Momordica charantia L. using a series of in-silico approaches. The compounds were docked into the active area of the DENV-2 NS5 RdRp protease to obtain the hit compounds. The successful compounds underwent additional testing for a study on drug-likeness similarity. Our study obtained Momordicoside-I as a lead compound which was further exposed to the Cytochrome P450 (CYP450) toxicity analysis to determine the toxicity based on docking scores and drug-likeness studies. Moreover, DFT studies were carried out to calculate the thermodynamic, molecular orbital and electrostatic potential properties for the lead compound. Moreover, the lead compound was next subjected to molecular dynamic simulation for 200 ns in order to confirm the stability of the docked complex and the binding posture discovered during docking experiment. Overall, the lead compound has demonstrated good medication like qualities, non-toxicity, and significant binding affinity towards the DENV-2 RdRp enzyme.Communicated by Ramaswamy H. Sarma.

15.
J Biomol Struct Dyn ; 41(24): 14904-14913, 2023.
Article in English | MEDLINE | ID: mdl-36995164

ABSTRACT

Due to the rising increase in infectious diseases brought on by bacteria and anti-bacterial drug resistance, antibacterial therapy has become difficult. The majority of first-line antibiotics are no longer effective against numerous germs, posing a new hazard to global human health in the 21st century. Through the drug-likeness screening, 184 usnic acid derivatives were selected from an in-house database of 340 usnic acid compounds. The pharmacokinetics (ADMET) prediction produced fifteen hit compounds, of which the lead molecule was subsequently obtained through a molecular docking investigation. The lead compounds, labelled compound-277 and compound-276, respectively, with the substantial binding affinity towards the enzymes were obtained through further docking simulation on the DNA gyrase and DNA topoisomerase proteins. Additionally, molecular dynamic (MD) simulation was performed for 300 ns on the lead compounds in order to confirm the stability of the docked complexes and the binding pose discovered during docking tests. Due to their intriguing pharmacological characteristics, these substances may be promising therapeutic candidate for anti-bacterial medication.Communicated by Ramaswamy H. Sarma.


Subject(s)
DNA Gyrase , DNA Topoisomerase IV , Humans , DNA Gyrase/chemistry , DNA Topoisomerase IV/metabolism , Molecular Docking Simulation , Binding Sites , Topoisomerase II Inhibitors/pharmacology , Topoisomerase II Inhibitors/chemistry , Bacteria/metabolism , Molecular Dynamics Simulation , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry
16.
J Biomol Struct Dyn ; 41(23): 13923-13936, 2023.
Article in English | MEDLINE | ID: mdl-36786766

ABSTRACT

Since the first prevalence of COVID-19 in 2019, it still remains the most devastating pandemic throughout the world. The current research aimed to find potential natural products to inhibit the novel coronavirus and associated infection by MD simulation and network pharmacology approach. Molecular docking was performed for 39 natural products having potent anti-SARS-CoV activity. Five natural products showed high binding interaction with the viral main protease for the SARS-CoV-2 virus, where 3ß,12-diacetoxyabieta-6,8,11,13 tetraene showed stable binding in MD simulation until 100 ns. Both 3ß,12-diacetoxyabieta-6,8,11,13 tetraene and tomentin A targeted 11 common genes that are related to COVID-19 and interact with each other. Gene ontology development analysis further showed that all these 11 genes are attached to various biological processes. The KEGG pathway analysis also showed that the proteins that are targeted by 3ß,12-diacetoxyabieta-6,8,11,13 tetraene and tomentin A are associated with multiple pathways related to COVID-19 infection. Furthermore, the ADMET and MDS studies reveals 3ß,12-diacetoxyabieta-6,8,11,13 as the best-suited compound for oral drug delivery.Communicated by Ramaswamy H. Sarma.


Subject(s)
Biological Products , COVID-19 , Humans , SARS-CoV-2 , Molecular Docking Simulation , Network Pharmacology , Biological Products/pharmacology , Molecular Dynamics Simulation , Protease Inhibitors/pharmacology
17.
Bangladesh Med Res Counc Bull ; 38(3): 84-9, 2012 Dec.
Article in English | MEDLINE | ID: mdl-23540182

ABSTRACT

Postoperative hypocalcaemia is the most frequent and common complication after total thyroidectomy. It is necessary to diagnose or to predict hypocalcaemia immediately after total thyroidectomy for minimizing complications. A prospective observational study was carried out in the Department of Clinical Pathology in collaboration with Department of Microbiology & Immunology, Department of Surgery, Department of Otolaryngology, Bangabandhu Sheikh Mujib Medical University (BSMMU) and Department of Otolaryngology, Dhaka Medical College & Hospital (DMC&H), Dhaka, during the period of September 2010 to August 2011 to evaluate intraoperative (20 minutes after total thyroidectomy) parathyroid hormone (PTH) measurement as a predictor of post thyroidectomy hypocalcaemia. Total 65 patients were enrolled in this study those came for total thyroidectomy. Postoperative hypocalcaemia developed in 25 cases. Intraoperative PTH was assessed and significant correlation was found between intraoperative PTH level and development of hypocalcaemia. The sensitivity, specificity, accuracy, positive predictive value, negative predictive value of intraoperative serum PTH for prediction of post total thyroidectomy hypocalcaemia were 84.0%, 85.0%, 84.6%, 77.8%, and 89.5% respectively. Because of the high sensitivity, specificity and accuracy of intraoperative serum PTH of this study, the early prediction of hypocalcaemia could be made by single assay of intraoperative serum PTH level at 20 minutes after total thyroidectomy.


Subject(s)
Hypocalcemia/blood , Parathyroid Hormone/blood , Postoperative Complications/blood , Thyroidectomy/adverse effects , Adolescent , Adult , Aged , Bangladesh , Female , Humans , Hypocalcemia/etiology , Male , Middle Aged , Monitoring, Intraoperative/methods , Parathyroid Hormone/deficiency , Postoperative Complications/diagnosis , Postoperative Complications/etiology , Predictive Value of Tests , Prospective Studies , Young Adult
18.
Mymensingh Med J ; 31(2): 400-405, 2022 Apr.
Article in English | MEDLINE | ID: mdl-35383757

ABSTRACT

NSTEMI patients, in comparison to STEMI patients, are more at risk of bleeding, access site complication and MACE after PCI during index hospitalization. Because they get, multiple adjuvant anti-thrombotic agents before PCI than do the STEMI patients undergoing primary PCI. Transradial access (TRA) is proven to decrease those adverse in-hospital outcomes compared to transfemoral access (TFA) in STEMI patients. But very few studies were conducted in this regard considering NSTEMI patients. We observed prospectively the adverse in-hospital outcomes of total 180 NSTEMI patients who had undergone PCI through TRA (Group I = 80) and TFA (Group II = 100) during index hospitalization between October 2017 to September 2018 in National Institute of Cardiovascular Disease (NICVD), Dhaka, Bangladesh. Samples were selected purposively. Patients were followed up 2 hours after PCI and thereafter every day until discharge. Demographic and risk factor variables were almost same in both groups. TRA, compared with TFA, yielded less major bleeding (0% versus 3%, p=0.12) which was statistically non-significant. Minor bleeding was significantly less in Group I (2.5% versus 13.0%, p=0.04). Overall bleeding was also significantly less in Group I (2.5% and 10.0%; p=0.002). Access site complication was non-significantly less in Group I (0% versus 1%, p=0.91). TRA caused non-significant reduction in MACE (2.5% versus 5%; p=0.38) but significant reduction of total adverse in-hospital outcome (5% versus 20%, p=0.006%). In this study TRA seems to have less adverse in-hospital outcome than TFA in NSTEMI patients undergoing PCI during index hospitalization.


Subject(s)
Non-ST Elevated Myocardial Infarction , Percutaneous Coronary Intervention , Bangladesh/epidemiology , Femoral Artery , Hospitalization , Hospitals , Humans , Percutaneous Coronary Intervention/adverse effects , Radial Artery , Risk Factors , Treatment Outcome
19.
Curr Diabetes Rev ; 18(3): e022821191889, 2022.
Article in English | MEDLINE | ID: mdl-33645486

ABSTRACT

BACKGROUND: Diabetes mellitus is an endocrine metabolic disorder, which affects the major organs in human and comorbid with others. Besides, diabetic patients are more prone to various infectious diseases as well as COVID-19 sporadic infection which is a high risk for patients with diabetes mellitus. To combat these infections and comorbid situations, an integrated balanced nutritional supportive could help in maintaining sound health and increase immunity for prevention and management of such type of viral infections. OBJECTIVES: While information regarding nutritional supports in COVID-19 pandemic in diabetic patients is not available, this review aimed to accumulate the evidence from previous publications where studied about nutrition-based supports or interventions for viral diseases with special emphasis on respiratory infections. METHODS: For reviewing, searches are done for getting journal articles into Google Scholar, Pub Med/Medline, Database of Open Access Journal and Science Direct for relevant data and information. RESULTS: Integrated nutritional supports of both macronutrients and micronutrients guidelines, including home-based physical exercise schedule, is summarized in this comprehensive review for possible prevention and management of diabetic patients in COVID-19 infections. The immuneboosting benefits of some vitamins, trace elements, nutraceuticals and probiotics in viral infections of diabetic patients are also included. CONCLUSION: There is an urgent need for a healthy diet and integrated nutritional supports with home-based physical activities for diabetic patients during the self-isolation period of COVID-19 Infection.


Subject(s)
COVID-19 , Diabetes Mellitus , Virus Diseases , Humans , Nutritional Support , Pandemics/prevention & control
20.
Mymensingh Med J ; 30(1): 233-237, 2021 Jan.
Article in English | MEDLINE | ID: mdl-33397881

ABSTRACT

First branchial cleft anomalies are embryological defect account for 8-10% of all branchial cleft defects. Approximately 17% of all Paediatric cervical masses are due to branchial anomalies. Despite of the fact that these anomalies are benign, secondary infection, positional effect and complication of treatment like surgery account for morbidity. Here one such case of 30 years old lady who presented to us with one discharging sinus in the floor of the right external auditory canal with a swelling in the upper neck for about 20 years. On examination showed one discharging sinus opening in the floor of right external auditory canal (EAC) and a cystic swelling in upper neck between sternomastoid and mandible. While compression over the swelling cheesy discharge comes out from EAC. MRI showed oval shaped fluid signal intensity lesion measuring about 4 × 2.1 × 1.6cm in right infra auricular region with slit like curvilinear tract about 10mm extending from upper part of the lesion opening into the antero-inferior part of external auditory canal at the junction of bony and cartilaginous part. Histopathology report showed a cyst lined by stratified squamous epithelium; wall is composed of fibrocollagenous tissue with mucous gland. The wall is densely infiltrated with lymphocytes forming lymphoid follicles at places. This paper presents a case report of collaural sinus from Otology unit, Department of Otolaryngology-Head & Neck Surgery, Bangabandhu Sheikh Mujib Medical University, Dhaka, Bangladesh.


Subject(s)
Branchial Region , Paranasal Sinuses , Adult , Bangladesh , Child , Ear Canal , Female , Humans , Magnetic Resonance Imaging
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