Molecular Dynamic Simulations-Based Conformational Analysis and Binding Study of CP-225917 on Farnesyl Transferase Enzyme

Molecular Dynamic Simulations-Based Conformational Analysis and Binding Study of CP-225917 on Farnesyl Transferase Enzyme

CP-225917 was isolated from unidentified fungi and exhibits farnesyl transferase and squalene synthase inhibitory activity. In the present investigation, computational studies including docking, molecular dynamic simulations, protein ligand interaction fingerprints (PLIF) analysis and pharmacokineti...

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Bibliographic Details
Main Authors: Narayana Subbiah Hari Narayana Moorthy, Chandrabose Karthikeyan, Elangovan Manivannan
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Medical Sciences Forum
Subjects:
FTase
docking
MD simulations
conformational analysis
CP-225917
Online Access:https://www.mdpi.com/2673-9992/14/1/70

Internet

https://www.mdpi.com/2673-9992/14/1/70

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