Identifying natural product inhibitors against CDK9 enzyme via combined multicomplex-based pharmacophore modeling, interaction studies and molecular dynamics simulations-Reference-Cited by-同舟云学术

Identifying natural product inhibitors against CDK9 enzyme via combined multicomplex-based pharmacophore modeling, interaction studies and molecular dynamics simulations

Published:2023-07 Issue: Volume:161 Page:107055
ISSN:0010-4825
Container-title:Computers in Biology and Medicine
language:en
Short-container-title:Computers in Biology and Medicine

Author:

Ghosh Amar^ORCID,Mukherjee Shreya,Jha Prakash C.,Manhas Anu^ORCID

Funder

Science and Engineering Research Board

University Grants Commission

Publisher

Elsevier BV

Subject

Health Informatics,Computer Science Applications

Reference47 articles.

1. World Cancer Report: Cancer Research for Cancer Prevention;Wild,2020

2. Cancer Facts & Figures 2022;AmericanCancerSociety,2022

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Revealing binding mechanism of β-casein to chrysin, apigenin, and luteolin and locating its binding pockets by molecular docking and molecular dynamics;Biochemical and Biophysical Research Communications;2024-11

2. Uncovering potential CDK9 inhibitors from natural compound databases through docking-based virtual screening and MD simulations;Journal of Molecular Modeling;2024-07-16

3. Rapid screening and isolation of 5‐lipoxygenase inhibitors in Inonotus obliquus and mechanism of action in the treatment of asthma;Journal of Separation Science;2024-03

4. In-depth analysis of the acetylcholinesterase inhibitors of Ganoderma amboinense based receptor-ligand affinity coupled with complex chromatography;Journal of Food Composition and Analysis;2024-01

5. Computational studies to explore inhibitors against the cyclin-dependent kinase 12/13 enzyme: an insilco pharmacophore modeling, molecular docking and dynamics approach;Journal of Biomolecular Structure and Dynamics;2023-10-10