Results 131 to 140 of about 26,166,385 (205)

Development of potential CDK9 inhibitors through pharmacophore-based virtual screening, 3D-QSAR, molecular docking, MD simulation, and in vitro anticancer evaluation. [PDF]

Sci Rep
Reddyrajula R, Etikyala U, Dinesha P, Sampat PV, Hegde SS, Muzaffar-Ur-Rehman M, Gowri CSKV, Dalimba U, Manga V.   +8 more
europepmc   +1 more source

Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors. [PDF]

Comput Struct Biotechnol J, 2021
Gallego-Yerga L, Ochoa R, Lans I, Peña-Varas C, Alegría-Arcos M, Cossio P, Ramírez D, Peláez R.   +7 more
europepmc   +1 more source

Identification and Biological Validation of MMP-12 Inhibitors Guided by Pharmacophore-Based Virtual Screening and Docking Studies. [PDF]

ACS Omega
Almutairi S, Sabbah DA, Sweidan K, Hajjo R, Bardaweel SK.   +4 more
europepmc   +1 more source

Pharmacophore based virtual screening for natural product database revealed possible inhibitors for SARS-COV-2 main protease. [PDF]

Virology, 2022
El-Ashrey MK, Bakr RO, Fayed MAA, Refaey RH, Nissan YM.   +4 more
europepmc   +1 more source

High-throughput virtual screening with e-pharmacophore and molecular simulations study in the designing of pancreatic lipase inhibitors

, 2015
Ganesh Kumar Veeramachaneni, K Kranthi Raj, Leela Madhuri Chalasani, Jayakumar Singh Bondili, Venkateswara Rao Talluri Department of Biotechnology, K L University, Guntur, India Background: Obesity is a progressive metabolic disorder in the current ...
Raj KK, Veeramachaneni GK, Talluri VR, Chalasani LM, Bondili JS   +4 more
core  

Identification of a peptide inhibitor disrupting the PCSK9-LDLR interaction <i>via</i> pharmacophore-based virtual screening, molecular dynamics simulations and <i>in vitro/vivo</i> evaluation. [PDF]

J Enzyme Inhib Med Chem
Wu W, Yang S, Liu J, Wang Y, Pan D, Zhou Y.   +5 more
europepmc   +1 more source

Pharmacophore-Based Virtual Screening of Novel Competitive Inhibitors of the Neurodegenerative Disease Target Kynurenine-3-Monooxygenase. [PDF]

Molecules, 2021
Gotina L, Seo SH, Kim CW, Lim SM, Pae AN.   +4 more
europepmc   +1 more source

Identification of new triazoloquinoxaline amine derivatives with potent modulatory effects against Toll-like receptor 7 through pharmacophore-based virtual screening and molecular docking approaches. [PDF]

PLoS One
Harooni NS, Naimi-Jamal MR, Gharaghani S, Katebi A, Ajdary S, Tahghighi A.   +5 more
europepmc   +1 more source

A Search for Cyclin-Dependent Kinase 4/6 Inhibitors by Pharmacophore-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulations. [PDF]

Int J Mol Sci, 2021
Susanti NMP, Damayanti S, Kartasasmita RE, Tjahjono DH.   +3 more
europepmc   +1 more source

Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold. [PDF]

ACS Omega, 2022
Elseginy SA, Anwar MM.
europepmc   +1 more source