Results 101 to 110 of about 7,414 (156)

2-Phenylcyclopropylmethylamine (PCPMA) Derivatives as D₃R-Selective Ligands for 3D-QSAR, Docking and Molecular Dynamics Simulation Studies. [PDF]

Int J Mol Sci
Guo L, Gao Y, Zhang S, Zhao L, Zhao R, Sun P, Pan X, Zhang W.   +7 more
europepmc   +1 more source

3D-QSAR, ADMET, and molecular docking studies of aztreonam analogs as E. colis inhibitors. [PDF]

SAGE Open Med
Mitku ML, Simegn W, Chanie GS, Mohammed Seid A, Beyna AT, Kebad Mengesha A, Melese M, Esubalew D, Gela YY, Ayenew W, Limenh LW.   +10 more
europepmc   +1 more source

Pharmacophore mapping, 3D QSAR, molecular docking, and ADME prediction studies of novel Benzothiazinone derivatives. [PDF]

In Silico Pharmacol
Shaikh J, Patel S, Nagani A, Shah M, Ugharatdar S, Patel A, Shah D, Patel D.   +7 more
europepmc   +1 more source

Prioritization of phytochemical isolation and characterization against HER2 as a breast cancer target based on chromatographic methods, DFT studies, 3D-QSAR analysis, and molecular docking simulations. [PDF]

RSC Adv
Lakshmi BS, Bidarur JK, Anilkumar HG, Ravindranath BS.   +3 more
europepmc   +1 more source

Deciphering quinazoline derivatives' interactions with EGFR: a computational quest for advanced cancer therapy through 3D-QSAR, virtual screening, and MD simulations. [PDF]

Front Pharmacol
Anwar S, Alanazi J, Ahemad N, Raza S, Chohan TA, Saleem H.   +5 more
europepmc   +1 more source

Computational approaches: atom-based 3D-QSAR, molecular docking, ADME-Tox, MD simulation and DFT to find novel multi-targeted anti-tubercular agents. [PDF]

BMC Chem
Panigrahi D, Sahu SK.
europepmc   +1 more source

Development of Novel ROCK Inhibitors via 3D-QSAR and Molecular Docking Studies: A Framework for Multi-Target Drug Design. [PDF]

Pharmaceutics
Beljkas M, Petkovic M, Vuletic A, Djuric A, Santibanez JF, Srdic-Rajic T, Nikolic K, Oljacic S.   +7 more
europepmc   +1 more source

3D-QSAR, design, molecular docking and dynamics simulation studies of novel 6-hydroxybenzothiazole-2-carboxamides as potentially potent and selective monoamine oxidase B inhibitors. [PDF]

Front Pharmacol
Xie D, Tian Y, Cao L, Guo P, Cai Z, Zhou J.   +5 more
europepmc   +1 more source

Design, Synthesis, Antifungal Activity, and 3D-QSAR Study of Novel Quinoxaline-2-Oxyacetate Hydrazide. [PDF]

Molecules
Teng P, Li Y, Fang R, Zhu Y, Dai P, Zhang W.   +5 more
europepmc   +1 more source

Robust and predictive 3D-QSAR models for predicting the activities of novel oxadiazole derivatives as multifunctional anti-Alzheimer agents. [PDF]

RSC Adv
Sun Y, Zhang Z, Wen M, Wang F, Li X, Yang W, Zhou B.   +6 more
europepmc   +1 more source