„docking“
Suchergebnisse
7.903 Treffer
-
Computational investigation of stigmasterol as a potential therapeutic agent for cervical cancer: insights from density functional theory (DFT) and molecular docking studies
-
Molecular Docking and anti-MRSA effects of bioactive compounds from Cymbopogon
-
Drugs repurposed against morphine and heroin dependence: molecular docking, DFT, MM-GBSA-based MD simulation studies
-
Molecular Docking and dynamic simulation analysis of flavonoid derivatives as COX-2 inhibitors
-
Network pharmacology and molecular docking of Fraxinus floribunda: validating ethnomedicinal applications in T2DM
-
Inhibition of acyl-homoserine-lactone synthase in Pseudomonas aeruginosa biofilms by 7-O-methyl-aromadendrin by using molecular docking and molecular dynamics simulation
-
Deciphering the the molecular mechanism of aloe-emodin in managing type II diabetes mellitus using network pharmacology, molecular docking, and molecular dynamics simulation approaches
-
Molecular docking, pharmacological profiling, and MD simulations of glycolytic inhibitors targeting novel SARS CoV-2 main protease and spike protein
-
In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin
-
Evaluation of various bioactive molecules for their gp120–CD4 binding inhibitory properties by in-silico molecular docking and dynamic studies
-
Network pharmacology and molecular docking to reveal the pharmacological mechanisms of Abelmoschus esculentus (l.) moench in treating breast cancer
-
Structure based multi-targeted screening, docking, DFT and simulation of anticancer natural compounds against gallbladder cancer
-
De novo in silico screening of natural products for antidiabetic drug discovery: ADMET profiling, molecular docking, and molecular dynamics simulations
-
Investigation of Aframomum melegueta compounds as ERK5 inhibitor related to breast cancer via molecular docking and dynamic simulation
-
From phytomedicine to conventional drug research, to look for new drug molecule against monkey pox virus; a molecular docking, virtual screening and ADME analysis
-
Multilayered screening for multi-targeted anti-Alzheimer’s and anti-Parkinson’s agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors
-
Unveiling structural components of dibenzofuran-based MMP-12 inhibitors: a comparative classification-dependent analysis with molecular docking-based virtual screening and molecular dynamics simulation
-
Identification of novel 3-dehydroquinate dehydratase (DHQD) inhibitors for anti-tuberculosis activity: insights from virtual screening, molecular docking, and dynamics simulations
-
Exploring the efficacy of some biologically active compounds as anti-hypertensive drugs: an insightful evaluation through DFT, molecular docking and molecular dynamics simulations
-
Inhibition of IRF3-STING axis interaction in silicosis using natural compounds: an in-silico study using molecular docking, ADMET, molecular dynamics and MMPBSA approach