Detalhe da pesquisa
1.
Natural compounds for oxidative stress and neuroprotection in schizophrenia: composition, mechanisms, and therapeutic potential.
Nutr Neurosci
; : 1-15, 2024 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38462971
2.
Computational Exploration of Naturally Occurring Flavonoids as TGF-ß Inhibitors in Breast Cancer: Insights from Docking and Molecular Dynamics Simulations and In-vitro Cytotoxicity Study.
Chem Biodivers
; 21(6): e202301903, 2024 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-38623839
3.
Carbonylbis(hydrazine-1-carbothioamide) derivatives as a new class of α-glucosidase inhibitors and their mechanistic insights via molecular docking and dynamic simulations.
Arch Pharm (Weinheim)
; 357(3): e2300604, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38148299
4.
Synthesis of the chromone-thiosemicarbazone scaffold as promising α-glucosidase inhibitors: An in vitro and in silico approach toward antidiabetic drug design.
Arch Pharm (Weinheim)
; : e2400140, 2024 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38687119
5.
Chemical Composition of Piper nigrum L. Cultivar Guajarina Essential Oils and Their Biological Activity.
Molecules
; 29(5)2024 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38474459
6.
Theoretical and Anti-Klebsiella pneumoniae Evaluations of Substituted 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide and Imidazopyridine Hydrazide Derivatives.
Molecules
; 28(6)2023 Mar 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36985773
7.
QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA.
Molecules
; 27(15)2022 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35897936
8.
QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
Molecules
; 27(15)2022 Aug 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35956900
9.
Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.
Saudi Pharm J
; 30(6): 693-710, 2022 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-35812153
10.
QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain.
J Biomol Struct Dyn
; 42(5): 2550-2569, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-37144753
11.
Unveiling dynamics of nitrogen content and selected nitrogen heterocycles in thrombin inhibitors: a ceteris paribus approach.
Expert Opin Drug Discov
; : 1-19, 2024 Jun 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-38898679
12.
Synthesis and antiproliferative evaluation of novel 3,5,8-trisubstituted coumarins against breast cancer.
Future Med Chem
; 16(11): 1053-1073, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38708686
13.
Structural, dynamic behaviour, in-vitro and computational investigations of Schiff's bases of 1,3-diphenyl urea derivatives against SARS-CoV-2 spike protein.
Sci Rep
; 14(1): 12588, 2024 06 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38822113
14.
Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor.
J Biomol Struct Dyn
; : 1-31, 2024 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38385447
15.
Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder.
PLoS One
; 19(1): e0286848, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38227609
16.
Impact of tautomery of 3-(4H-1,2,4-triazol-3-ylthio)-N-phenylpropanamide on the COX-1 inhibitory mechanism.
J Enzyme Inhib Med Chem
; 28(3): 523-9, 2013 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-22304495
17.
In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators.
Front Pharmacol
; 14: 1129997, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37144217
18.
CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines.
Bioorg Med Chem Lett
; 22(14): 4827-35, 2012 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-22732694
19.
Challenges and measures during management of mounting biomedical waste in COVID-19 pandemic: an Indian approach.
Bull Natl Res Cent
; 46(1): 159, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35669155
20.
Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis.
Pharmaceuticals (Basel)
; 15(7)2022 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35890133