Results 151 to 160 of about 26,166,385 (205)

Structural insight into the lead identification of a dual inhibitor of PDE1B and PDE10A: Integrating pharmacophore-based virtual screening, molecular docking, and structure-activity-relationship approaches. [PDF]

Heliyon
Soon CW, Gaurav A, Gautam V, Al-Nema M.
europepmc   +1 more source

Discovery of Potential Inhibitors of CDK1 by Integrating Pharmacophore-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation Studies, and Evaluation of Their Inhibitory Activity. [PDF]

ACS Omega
Teotia V, Jha P, Chopra M.
europepmc   +1 more source

Discovery of Novel Allosteric SHP2 Inhibitor Using Pharmacophore-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and Principal Component Analysis. [PDF]

Pharmaceuticals (Basel)
Singh P, Kumar V, Lee KW, Hong JC.
europepmc   +1 more source

Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds. [PDF]

Front Cell Infect Microbiol, 2020
Liu C, Yin J, Yao J, Xu Z, Tao Y, Zhang H.   +5 more
europepmc   +1 more source

Exploring a repurposed candidate with dual hIDO1/hTDO2 inhibitory potential for anticancer efficacy identified through pharmacophore-based virtual screening and in vitro evaluation. [PDF]

Sci Rep
Aboomar NM, Essam O, Hassan A, Bassiouny AR, Arafa RK.   +4 more
europepmc   +1 more source

Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore-based virtual screening approach. [PDF]

Eur J Pharm Sci, 2020
Mirza MU, Saadabadi A, Vanmeert M, Salo-Ahen OMH, Abdullah I, Claes S, De Jonghe S, Schols D, Ahmad S, Froeyen M.   +9 more
europepmc   +1 more source

Molecular Docking, Molecular Dynamics Simulation, and Pharmacophore-Based Virtual Screening Unveil Natural Compounds with TIM-3 Inhibitory Activity.

J Pharm Bioallied Sci
Alzain AA, Almogaddam MA, Yousif R, Alqarni MH, Foudah AI, Osman W, Elamin KM, Mohamed HM, Moglad E, Ashour A, Samra RM, Mohamed GA, Ibrahim SRM.   +12 more
europepmc   +1 more source

Improvement of ligand-based virtual screening by introducing pharmacophore fingerprint

Improvement of ligand-based virtual screening by introducing pharmacophore fingerprint
identifier:oai:t2r2.star.titech.ac.jp ...
openaire   +1 more source

Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: from pharmacophore-based virtual screening to molecular dynamics

, 2021
Yazdani M, Jafari A, Mahdian S, Gharaghani S.   +3 more
europepmc   +1 more source

Drug Design by Pharmacophore and Virtual Screening Approach

Pharmaceuticals, 2022
Computer-aided drug discovery techniques reduce the time and the costs needed to develop novel drugs. Their relevance becomes more and more evident with the needs due to health emergencies as well as to the diffusion of personalized medicine ...
Angelo Facchiano, Deborah Giordano
exaly   +2 more sources