Results 191 to 200 of about 36,254 (282)

Pharmacophore modeling, docking and the integrated use of a ligand- and structure-based virtual screening approach for novel DNA gyrase inhibitors: synthetic and biological evaluation studies

, 2021
Deepti Mathpal, Mukesh Masand, Anisha Thomas, Irfan Ahmad, Mοhd Saeed, Gaffar Sarwar Zaman, Mehnaz Kamal, Talha Jawaid, Pramod Kumar Sharma, Madan M. Gupta, Santosh Kumar, Swayam Prakash Srivastava, Vishal M. Balaramnavar   +12 more
openalex   +2 more sources

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

Identification of novel EZH2 inhibitors through pharmacophore-based virtual screening and biological assays

, 2016
Yunlong Wu, Junchi Hu, Hong Ding, Limin Chen, Yuanyuan Zhang, Rongfeng Liu, Pan Xu, Daohai Du, Wenchao Lu, Jingqiu Liu, Yan Liu, Yu‐Chih Liu, Junyan Lu, Jin Zhang, Zhiyi Yao, Cheng Luo   +15 more
openalex   +1 more source

Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model

, 2019
Jingwei Liang, Mingyang Wang, Shan Wang, Shilong Li, Wanqiu Li, Fan‐hao Meng   +5 more
openalex   +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

PharmoSB: A Direction-Aware Structure-Based Pharmacophore Modeling and Virtual Screening Platform

aman thakur, Paliwal deepika, Girish Kumar Gupta, Vineet Hemendra Mehta, Prof. Ranjit Singh   +4 more
openalex   +1 more source

3D Pharmacophore-Based Virtual Screening and Docking Approaches toward the Discovery of Novel HPPD Inhibitors [PDF]

, 2017
Ying Fu, Yi-Na Sun, Ke‐Han Yi, Mingqiang Li, Hai‐Feng Cao, Jiazhong Li, Fei Ye   +6 more
openalex   +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

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