Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 30
Filtrar
1.
Bratisl Lek Listy ; 122(4): 263-269, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33729819

RESUMO

BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are determined by contour plots of frontier molecular orbital and molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined. Since SARS-CoV-2 is a worldwide health problem, antiviral properties of studied boron-containing compounds are investigated by molecular docking calculations. In addition to these calculations, MM/PSBA calculations are performed. RESULTS AND CONCLUSION: It is found that the studied boron compounds can be good drug candidates against the main protease of SARS-CoV-2, while the best of them is 4,6-di-tert-butyl-2-(4-methoxyphenyl)benzo[d][1,3,2] dioxaborole (B2) (Tab. 3, Fig. 8, Ref. 23).


Assuntos
Antivirais , COVID-19 , Antivirais/farmacologia , Antivirais/uso terapêutico , Boro , Compostos de Boro/farmacologia , Humanos , Simulação de Acoplamento Molecular , SARS-CoV-2 , Proteínas não Estruturais Virais
2.
Bratisl Lek Listy ; 122(2): 101-110, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33502877

RESUMO

BACKGROUND: SARS-CoV-2, which started in Wuhan and later affected the whole world, is the most important disease of the world today. Many ways to inhibit SARS-CoV-2 virus are sought to prevent the spread of this virus. Azithromycin and clarithromycin are considered for the treatment of the SARS-CoV-2 virus, which has a high similarity to previous colonic diseases. AIM: We aimed to determine whether azithromycin and clarithromycin, the RNA-dependent RNA polymerase protein inhibitor used in the treatment of COVID-19, is effective against SARS Cov-2 in silico. RESULTS AND CONCLUSION: The 503 analogues of azithromycin and clarithromycin were studied to target SARS-CoV-2 the RNA-dependent RNA polymerase protein inhibition. Maestro program was used to compare the inhibition activities of these analogues. A detailed comparison was made using the numerical value of many parameters obtained. ADME / T properties were then examined to determine the effects and reactions of analogues on human metabolism. In this study, the SARS-CoV2 virus is 6NUR and 6NUS, which is the RNA-dependent RNA polymerase protein. Among these proteins, the best inhibitor among the 503 analogues according to the docking score parameter was 9851445 with a great difference. This analogue was an analogue of azithromycin (Tab. 3, Fig. 6, Ref. 58).


Assuntos
Azitromicina/uso terapêutico , Tratamento Farmacológico da COVID-19 , Claritromicina/uso terapêutico , Antivirais/farmacologia , Azitromicina/farmacologia , Claritromicina/farmacologia , Humanos , RNA Viral , SARS-CoV-2
3.
Bratisl Lek Listy ; 122(7): 497-506, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34161118

RESUMO

BACKGROUND: It is the SARS-CoV-2 virus, one of the most significant diseases of today's world. Due to the high transmission of this disease, studies are ongoing to discover an inhibitor drug that can stop this disease. In this study, inhibitory drugs used for many diseases were tried to stop the SARS-CoV-2 virus. AIM: In the calculations made, inhibitor molecules for the SARS-CoV-2 virus were calculated by molecular docking method. RESULTS AND CONCLUSION: Inhibitory activities of SARS-CoV-2 virus against spike glycoprotein (PDB ID: 6M0J, 6LZG), main protease (PDB ID: 5RGG, 6WTT), and RNA dependent RNA polymerase (RdRp) (PDB ID: 6YYT, 7BV2) proteins were compared. Then, docking calculations were supported by calculations by MM-PSBA of the inhibitor with the highest activity. Afterwards, it was compared with FDA approved drugs for the SARS-CoV-2 virus. It was found that the Carvedilol molecule was the best against RNA dependent RNA polymerase (RdRp) protein of SARS-CoV-2 (Tab. 4, Fig. 9, Ref. 42).


Assuntos
COVID-19 , Preparações Farmacêuticas , Antivirais/farmacologia , Humanos , Simulação de Acoplamento Molecular , SARS-CoV-2
4.
Bratisl Lek Listy ; 122(10): 753-758, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34570579

RESUMO

BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are determined using molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined. AIM: We aimed to determine whether Boron-Containing Compounds (BCCs) inhibitor used in the treatment of COVID-19 are effective against SARS Cov-2 in silico. RESULTS AND CONCLUSION: Since SARS-CoV-2 is a worldwide health problem, anti-viral properties of studied boron-containing compounds were investigated by molecular docking calculations. In addition to these calculations, MM/PSBA calculations were performed. It was found that boron compounds can be good drug candidate against SARS-CoV-2 and the best compound is ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropanamido)-4-guanidinobutyl)boronic acid (C26) (Tab. 2, Fig. 6, Ref. 29). Text in PDF www.elis.sk Keywords: boronate ester, dioxaborole, in silico, SARS-CoV-2, MD calculations.


Assuntos
COVID-19 , SARS-CoV-2 , Antivirais/farmacologia , Antivirais/uso terapêutico , Compostos de Boro/farmacologia , Humanos , Simulação de Acoplamento Molecular
5.
Bratisl Lek Listy ; 122(9): 670-679, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34463115

RESUMO

BACKGROUND: Predominant molecules in Peganum harmala leaves were detected using gas chromatography-mass spectrometry (GC-MS). Based on the results of this analysis, most alkaloids, flavonoids and triterpenoids in found P. harmala was compiled from the literature in order to develop and lead the production of effective inhibitor drugs for ACE2, main protease, and RNA dependent RNA polymerase (RdRp) proteins of SARS-CoV-2 virus, which is today's most contagious and deadly disease. AIM: By comparing FDA-approved drugs used in the treatment of COVID-19, we aimed to determine whether the molecules in P. harmala are effective against SARS CoV-2 in silico. RESULTS AND CONCLUSION: P. harmala molecules were selected as drug candidates from the PubChem web tool. Afterwards, molecular docking calculations of these inhibitor molecules were made with Maestro Molecular modeling program by Schrödinger. The comparison of molecules with high inhibitory activities with FDA-approved drugs was made. With molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) calculations, docking calculations of molecules that have high inhibitory activity, were tried to be verified by calculations in the range of 0-100 nanoseconds (Tab. 4, Fig. 6, Ref. 53).


Assuntos
Alcaloides , Peganum , SARS-CoV-2/efeitos dos fármacos , Alcaloides/farmacologia , COVID-19 , Humanos , Simulação de Acoplamento Molecular , Peganum/química , Compostos Fitoquímicos/farmacologia , Folhas de Planta/química
6.
Bratisl Lek Listy ; 121(10): 705-711, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32955901

RESUMO

BACKGROUND: COVID-19 is not fully known and causes severe inflammation and cytokine storm. It has many symptoms, such as: fever, sore throat, headache, dyspnoea, and diarrhoea. Arbidol was used in the treatment of COVID19, which was the most critical health problem in the world. However, the desired recovery was not achieved with Arbidol. Many countries still use this drug in the treatment of COVID19. AIM: We aimed to determine whether Arbidol, the hemagglutinin esterase inhibitor used in the treatment of COVID-19, was effective against SARS Cov-2 in silico. RESULTS AND CONCLUSION: The similarity between hemagglutinin and spike proteins were reported due to the fact that inhibition properties of Arbidol and its 39 analogues were examined in detail against hemagglutinin esterase and spike glycoproteins. CID 1070884 and CID 1207786 were found to be more active against hemagglutinin esterase than in Arbidol, while these compounds were inactive against spike glycoproteins. The interaction mechanism was clarified between arbidol and spike proteins. Phenylalanine, tyrosine, glycine, lysine, and aspartic acid were found to be the headliner amino acids in the interactions between Arbidol and binding domains of spike glycoproteins in the SARS-CoV2 (Tab. 3, Fig. 8, Ref. 28).


Assuntos
Betacoronavirus/efeitos dos fármacos , Indóis/farmacologia , Sítios de Ligação , COVID-19 , Infecções por Coronavirus , Humanos , Pandemias , Pneumonia Viral , SARS-CoV-2 , Glicoproteína da Espícula de Coronavírus/antagonistas & inibidores
7.
Transplant Proc ; 40(1): 313-5, 2008.
Artigo em Inglês | MEDLINE | ID: mdl-18261615

RESUMO

A 9-month-old female infant with biliary atresia underwent cadaveric liver transplantation due to progressive cholestatic hepatitis following a Kasai operation. She had biliary atresia splenic malformation syndrome (BASM) composed of an absent retrohepatic inferior vena cava with an azygous connection, preduodenal portal vein, polysplenia, and intestinal malrotation. A portal vein thrombosis developed on the 4th postoperative day requiring immediate treatment by thrombectomy. The patient is well with normal liver function at 3 months follow-up. Although BASM may render the transplantation more difficult, the presence of BASM is no longer a contraindication to liver transplantation.


Assuntos
Anormalidades Múltiplas , Atresia Biliar/cirurgia , Transplante de Fígado , Cadáver , Duodeno , Feminino , Humanos , Lactente , Volvo Intestinal , Intestinos/anormalidades , Veia Porta/anormalidades , Baço/anormalidades , Doadores de Tecidos , Veia Cava Inferior/anormalidades
8.
Diabetes Res Clin Pract ; 27(2): 153-7, 1995 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-7607054

RESUMO

Sclerodactyly is a chronic skin disorder seen together with long-term degenerative microvascular complications of diabetes mellitus. In this study, the relationship between sclerodactyly and various clinical and laboratory characteristics of diabetes mellitus have been investigated. One hundred and forty-two diabetic patients (63 type 1 and 79 type 2) and 72 healthy controls were evaluated clinically. Among the 142 diabetic patients, skin biopsies were taken from 21; 38 underwent soft tissue X-ray examination and 78 underwent periungual capillaroscopy. Among the healthy controls those with sclerodactyly were on the average 12 years older than those without (T: 3.38; P < 0.01). On the other hand, among the patients with either type 1 or type 2 diabetes mellitus the ages were similar between those with and without sclerodactyly. There were no statistically significant differences in the prevalence of diabetic complications. The presence of complications, increased proximal nail fold capillarity, HbA1c levels, radiological and histopathological findings were not different among those patients who had or did not have sclerodactyly.


Assuntos
Angiopatias Diabéticas/patologia , Angiopatias Diabéticas/fisiopatologia , Esclerodermia Localizada/fisiopatologia , Adulto , Idoso , Análise de Variância , Biópsia , Diabetes Mellitus Tipo 1/patologia , Diabetes Mellitus Tipo 1/fisiopatologia , Diabetes Mellitus Tipo 2/patologia , Diabetes Mellitus Tipo 2/fisiopatologia , Nefropatias Diabéticas/fisiopatologia , Neuropatias Diabéticas/fisiopatologia , Retinopatia Diabética/fisiopatologia , Feminino , Humanos , Articulações/fisiopatologia , Masculino , Pessoa de Meia-Idade , Valores de Referência , Esclerodermia Localizada/patologia , Pele/citologia , Pele/patologia
9.
Br J Ophthalmol ; 76(4): 241-3, 1992 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-1390495

RESUMO

A single masked trial of cyclosporin A 5 mg/kg/day versus monthly 1 g intravenous boluses of cyclophosphamide was conducted among 23 patients with Behçet's syndrome and active, potentially reversible uveitis. The trial was unmasked after a mean of 12 (SD 2) months for the cyclosporin A group (n = 12) and a mean of 10 (SD 3) months for the cyclophosphamide group (n = 11). During the initial 6 months the visual acuity significantly improved (p < 0.001) in the cyclosporin A group whereas this was not observed in the cyclophosphamide group. The subsequent follow-up of patients up to 24 months suggested that the initial improvement in visual acuity with cyclosporin A was not sustained. More extensive and especially long-term studies of cyclosporin A in the uveitis of Behçet's syndrome are warranted.


Assuntos
Síndrome de Behçet/tratamento farmacológico , Ciclofosfamida/uso terapêutico , Ciclosporina/uso terapêutico , Adolescente , Adulto , Ciclofosfamida/administração & dosagem , Ciclosporina/administração & dosagem , Feminino , Humanos , Masculino , Método Simples-Cego , Fatores de Tempo , Acuidade Visual
10.
J Periodontol ; 67(6): 617-20, 1996 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-8794974

RESUMO

Papillon-lefèvre syndrome (PLS) is described as the association of palmar-plantar hyperkeratosis with precocious periodontal disease which results in exfoliation of primary and permanent dentitions. This study was planned to assess the chemotaxis of peripheral blood neutrophils in 7 patients (3 females and 4 males) with Papillon-Lefevre syndrome. The neutrophil chemotaxis was analyzed using the zymosan activated serum (ZAS) assay. Chemotaxis and spontaneous migration measurements were compared to those of the healthy control subjects. The peripheral blood neutrophil chemotaxis and spontaneous migration were depressed in all patients with Papillon-Lefèvre syndrome. The decreased chemotaxis of peripheral blood neutrophils strongly suggests that the neutrophils may act as one of the important key determinants in the pathogenesis of severe periodontal destruction in patients with PLS.


Assuntos
Perda do Osso Alveolar/imunologia , Neutrófilos/imunologia , Doença de Papillon-Lefevre/complicações , Doença de Papillon-Lefevre/imunologia , Adolescente , Perda do Osso Alveolar/etiologia , Análise de Variância , Estudos de Casos e Controles , Quimiotaxia de Leucócito , Criança , Feminino , Humanos , Masculino , Zimosan/sangue
11.
Forensic Sci Int ; 113(1-3): 297-301, 2000 Sep 11.
Artigo em Inglês | MEDLINE | ID: mdl-10978640

RESUMO

Suicide attempts can be described to include all actions taken by an individual to end their life as a result of acute desperation. In parallel with the changes in the make-up of human societies both globally and in this country in recent years, suicide attempts are receiving attention in ever increasing proportions. The current study is aimed at investigating the psycho-socio-cultural factors that contribute to the known cases of suicide attempts. The study included 116 cases admitted to the Emergency Internal Medicine and Surgery Units of the University of Istanbul, Faculty of Medicine Hospital between 1 December 1998 and 31 May 1999. In only 47 cases, a 30-point questionnaire was used in several face-to-face interviews with the patients following the preparation of a clinical case study. In establishing the socio-demographic, socio-cultural and socio-economic attributes of each individual case, a range of contributing effective factors is questioned. Including the specific reasons for each suicide attempt, the emotional state of the individual prior to the suicide attempt, the type of suicide action chosen and reasons for this selection, immediate family structure, personal psychiatric antecedent, substance abuse. The results of our investigations are compared with the existing literature in a multi-faceted discussion.


Assuntos
Tentativa de Suicídio/psicologia , Tentativa de Suicídio/estatística & dados numéricos , Adolescente , Adulto , Distribuição por Idade , Fatores Etários , Idoso , Comportamento de Escolha , Características Culturais , Emoções , Família/psicologia , Feminino , Humanos , Masculino , Transtornos Mentais/psicologia , Pessoa de Meia-Idade , Fatores de Risco , Distribuição por Sexo , Fatores Sexuais , Fatores Socioeconômicos , Transtornos Relacionados ao Uso de Substâncias/psicologia , Tentativa de Suicídio/tendências , Inquéritos e Questionários , Turquia/epidemiologia
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA