A recent tactic for searching CDK-7 kinase inhibitor by NCI database screening

A recent tactic for searching CDK-7 kinase inhibitor by NCI database screening

The present study was based on an exploration of NCI database for searching specific CDK-7 kinase inhibitor by HTVS, SP, XP, molecular docking, molecular dynamic simulation, and ADMET evaluation. The best CDK-7 kinase inhibitors (NCI613391, NCI169676, NCI281246, NCI339580) were identified via NCI da...

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Bibliographic Details
Main Authors: Rashid Mohammad, Athar Md. Tanwir, Hussain Afzal, Almadani Norah M., Hussain Ashfaq
Format: Article
Language:English
Published: Serbian Chemical Society 2024-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
nci database
cdk-7 kinase inhibitor
dynamic simulation
molecular docking
t.e.s.t (us-epa)
lipinski’s rule
osiris property
Online Access:https://doiserbia.nb.rs/img/doi/0352-5139/2024/0352-51392300083R.pdf

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https://doiserbia.nb.rs/img/doi/0352-5139/2024/0352-51392300083R.pdf

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