Antioxidant and anti-inflammatory activity of a nanoparticle based intracanal drugs.

The most common intracanal medication is calcium hydroxide. Its efficacy can be affected by a number of factors, including pH, serum proteins, collagen, and dentin. It's also ineffective against E. faecalis and fungus, lacks an anti-inflammatory component, and has mixed reviews when it comes to pain relief. Natural alternatives to synthetic intracanal medication are being researched at the moment. We evaluated the antioxidant and anti-inflammatory activity of green synthesized silver nanoparticle based intracanal medicaments. Silver nanoparticles integrated into calcium hydroxide and graphene oxide nanoparticles were the experimental groups and Calcium hydroxide served as the control. Antioxidant activity was determined using the DPPH and Nitric oxide assays, while anti-inflammatory activity was determined using the protein denaturation and Xanthine Oxidase Inhibition assays. Both experimental groups had higher antioxidant activity than the control group based on DPPH and Nitric oxide assays. Calcium hydroxide combined with silver nanoparticles demonstrated improved anti-inflammatory efficacy in a protein denaturation and Xanthine oxidase inhibition assay. Within the constraints of an in vitro study, it can be concluded that intracanal medicaments containing silver nanoparticles can be employed efficiently during root canal preparation. In comparison to standard calcium hydroxide-based intracanal medicaments, it has effective antioxidant and anti-inflammatory effects.

Knowledge and awareness of dental students on attention deficit hyperactivity disorder.

Attention deficit hyperactivity disorder (ADHD) is a prevalent psychiatric illness marked by a short span of attention, impulsive decisions, and behavioral issues. They are vulnerable to trauma and dental problems. The dental health team faces a challenge due to behavioral disorders, cognitive deficiencies, and short attention spans. At all stages of prevention and treatment, the management of these children necessitates various changes in approach. To collect data and analyze the awareness level of dental students toward ADHD. An online portal was used for the survey and distributed to 106 dentistry students with self-structured 10 questions. The findings were gathered through the survey portal, and graphs were drawn to compare the results. The SPSS software version 20.0 was used for statistical analysis. The Chi-square test was used to determine the correlation between the variables. Forty percent of those polled are aware of ADHD, which is a mental health condition characterized by excessively active and impulsive behavior. The symptoms of a child with ADHD are aware to 31.43% of voters. About 30.48% of the respondents know the symptoms of an adult with ADHD. About 29.52% of the respondents were aware of the causes of ADHD. To conclude that most dental undergraduates are not aware of the basic characteristics of ADHD. This means that there should be a spreading of knowledge on the subject. A dental student or dentist must know how to manage a patient diagnosed with ADHD. Careful management and treatment will lead to a satisfied and happy patient. Mismanagement may cause problems in the future for both the dentist and the patient.

Molecular docking analysis of SARS-CoV-2 linked RNA dependent RNA polymerase (RdRp) with compounds from Plectranthus amboinicus.

It is of interest to document the moelcular docking analysis of SARS-CoV-2 linked RNA dependent RNA polymerase (RdRp) with compounds from Plectranthus amboinicus. Hence, we report the binding features of rutin, Luteolin, Salvianolic acid A, Rosmarinic acid and p-Coumaric acid with the target protein SARS-CoV-2 linked RNA dependent RNA polymerase (RdRp) for further consideration.

Molecular modeling of cornulin (CRNN) for docking with phytocompounds from Justicia adhatoda L.

Cornulin (CRNN) is linked with tumour progression. Therefore, it is of interest to document data on the molecular modeling of cornulin (CRNN) for docking with phytocompounds (Pyrazinamide, Anisotine, Vasicinone, Vasicoline) from Justicia adhatoda L. Thus, we document the optimal binding features of these compounds with the cornulin model for further consideration.

Molecular docking of alkaloid compounds with the matrix metalloproteinase 2.

Matrix metalloproteinase protein-2 (MMP-2) is linked to the human oral squamous cell carcinoma. Therefore, it is of interest to design new inhibitors for MMP-2 to combat the disease. Thus, we document the molecular docking features of Aristolochic acid, Cryptopleurine, Epipodophyllotoxin, and Fagaronine with MMP-2 for further consideration.

Molecular docking of potential inhibitors with the mTOR protein.

The mTOR (mammalian or mechanistic Target of Rapamycin) is linked with oral cancer. Therefore, it is of interest to study the molecular docking-based binding of paclitaxel (a FDA approved drug for oral cancer) and its analogues with mTOR. Hence, we report the binding features of 10-Deacetyltaxol, 7-Epi-10-deacetyltaxol, 7-Epi-Taxol and 6alpha-Hydroxypaclitaxel with mTOR for further consideration.

Synthesis, characterization, and cytotoxicity of starch-encapsulated biogenic silver nanoparticle and its improved anti-bacterial activity.

The present work reported synthesis, characterization, and biocompatibility of starch encapsulated silver nanoparticles (St-PF-AgNPs) and their antibacterial activity. The synthesis of St-PF-AgNPs involved in two steps: (i) synthesis of the biogenic silver nanoparticles using the fungal extracts (PF-AgNPs); and, (ii) encapsulation of starch in PF-AgNPs (St-PF-AgNPs). The surface plasmon resonance was found at 420 nm for the PF-AgNPs while it was at 260 and 420 nm for the St-PF-AgNPs. FTIR spectrum demonstrated the capping and encapsulation of the fungal extracts and starch in PF-AgNPs and St-PF-AgNPs. The XRD and TEM-EDS confirmed the crystalline nature, spherical-shaped , and polydispersed- PF-AgNPs and St-PF-AgNPs with strong signals of Ag. The St-PF-AgNPs showed a Z-average size of 115.2 d.nm and zeta potential of -17.8 (mV) as indicated by DLS and zeta potentials. The cytotoxicity results demonstrated higher toxicity of PF-AgNPs than St-PF-AgNPs in HEK293 cells. The antibacterial activity of St-PF-AgNPs were higher than PF-AgNPs in S. aureus. Overall, this work concluded that the starch encapsulation significantly increased the antibacterial activity of PF-AgNPs and this opens a new avenue for the treatment of bacterial infections through the sustained release of PF-AgNPs to target pathogenic bacterial cells.

Molecular docking analysis of amyloid precursor protein with compounds from the Australian cowplant.

Amyloid precursor protein is linked with Alzheimer's disease (AD). The Australian cowplant Gymnema sylvestre is known in Indian and Chinese medicine. Therefore, it is of interest to screen the Amyloid precursor protein with compounds from the Australian cowplant. We report five compounds (Gymnemasaponin 5, Gymnemasin D, Gymnemoside A, Gymnemoside E, Gymnemoside F) derived from the Australian cowplant as the poteinal inhibitors of Amyloid precursor protein with optimal binding features for further consideration.

Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors.

Lipocalin 2 (Lcn2, also called as neutrophil gelatinase-associated lipocalin) is a member of the lipocalin family and a known target for breast cancer. Therefore, it is of interest to use Docetaxel as a scaffold to design molecules with improved efficiency from naturally derived phytochemicals. We document 10 analogues (4Deacetyltaxol, 7Acetyltaxol, Cabazitaxel, Cephalomannine, Docetaxal, Deacetyltaxol, Docetaxeltrihydrate, Ortataxel, Paclitaxel, Taxoline) having optimal binding with Lipocalin 2 in comparison with Docetaxel. This data is highly useful for consideration in the design and development of drugs for breast cancer.

Molecular docking data of piperine with Bax, Caspase 3, Cox 2 and Caspase 9.

Several apoptotic signalling proteins such as Bax, Caspase 3, Cox 2 and Caspase 9 are known to be associated with colorectal cancer (CRC). It is of interest to study the interaction of these proteins with piperine a known drug candidate. We document the binding energy, hydrogen bond interaction and hydrophobic interaction between the piperine and apoptotic proteins for further consideration.

Molecular docking analysis of Bcl-2 with phyto-compounds.

The Bcl-2 protein is liked in several cancers and drug resistance to therapy is also known in this context. There are many Bcl-2 inhibitors under clinical trials. It is of further interest to design new Bcl2 inhibitors from phyto compounds such as artesunate, bruceantin, maytansin, Salvicine, indicine N-oxide, kamebanin and oxyacanthine. We report the optimal binding features of these compounds with Bcl-2 for further consideration towards in vitro and in vivo validation.

Docking analysis of importin-11 homology model with the phyto compounds towards colorectal cancer treatment.

Colorectal cancer (CRC) is the most familiar malignancy worldwide. Hence, searching for novel therapeutic options is of highest priority. Therefore, it is of interest to design inhibitors to the protein target importin-11, which transports ß-catenin linked to colon cancer cells. However, the structure of importin-11 is not known. Hence, we use a homology model of importin-11 to dock potential interactions with five phyto compounds using molecular interaction features for further consideration.

Molecular docking analysis of alkaloid compounds with beta-catenin towards the treatment of colon cancer.

It is known that beta-catenin is associated with fibromatosis, sarcoma and mesenchymal tumor. Therefore, it is of interest to design an effective inhibtitor to the target protein beta-catenin. In this study, we report the molecular docking analysis of alkaloid compounds (aristolochicacid, cryptopleurine, demecolcine, fagaronine and thalicarpine) with beta-catenin for further consideration towards the design and development of potential inhintors for the treatmnet of colon cancer.

Molecular docking analysis of aspirin analogues with ß-catenin.

Canonical Wnt signaling pathway plays a crucial role in cancer cell proliferation, which links by the growth of ß-catenin in cell due to inactivation of glycogen synthetase kinase-3. Therefore, it is of interest to design novel candidates to bind with ß-catenin. Hence, we document the molecular docking analysis data of aspirin analogues with ß-catenin for further consideration.

Molecular docking analysis of Enterotoxin I from Staphylococcus aureus with Nafcillin analogues.

Staphylococcal enterotoxins (SEs) are liked with food poisoning and other related infections. Nafcillin is an antibiotic used to treat S. aureus. Therefore, it is of interest to study the molecular interactions of 25 nafcillin analogues with enterotoxin I using molecular docking analysis. The analysis shows optimal interaction features of Nafcillin analogues with Enterotoxin I from Staphylococcus aureus for further consideration.

Molecular docking analysis of COX-2 for potential inhibitors.

Cyclooxygenase-2 (COX-2) is liked with breast cancer. Therefore, it is of interest to design and develop new yet effective compounds against COX-2 from medicinal plants such as the natural alkaloid compounds. We document the optimal binding features of aristolochicacid with COX-2 protein for further consideration.

The porin AaxA protein model from Chlamydia pneumonia.

Chlamydophila pneumoniae is an intracellular pathogen accountable for various acute respiratory infections. C. pneumoniae has a gene cluster which encodes a putative outer membrane porin (aaxA), arginine decarboxylase (CPn1032 or aaxB) and a putative cytoplasmic membrane transporter (CPn1031 or aaxC). Therefore, it is of interest to document a molecular protein model of porin AaxA from Chlamydia pneumonia to gain structure to functional insight on the protein.

Molecular docking analysis of beta-catenin with compounds derived from Lycopersicon esculentum.

Beta-catenin is linked with colorectal cancer (CRC). Therefore, it is of interest to design and develop novel compounds to combat CRC. Hence, we document compounds (chlorogenic acid, gallic acid, protocatechuic acid, quercetin and vanillic acid) from Lycopersicon esculentum with optimal binding features for further consideration.