scholarly journals Structure based virtual screening, docking and molecular dynamic simulation studies to identify potent mdm2-p53 inhibitors: Future implications for cancer therapy

2017 ◽  
Vol 4 (1) ◽  
pp. 11 ◽  
Author(s):  
MV Raghavendra Rao ◽  
BVijay Raj ◽  
Yogesh Acharya
Keyword(s):  
Cancer Therapy ◽  
Virtual Screening ◽  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Simulation Studies

scholarly journals Finding Potent Inhibitors Against SARS-CoV-2 Main Protease Through Virtual Screening, ADMET, and Molecular Dynamic Simulation Studies

2020 ◽  
Author(s):  
Rajarshi Roy ◽  
Md Fulbabu Sk ◽  
Nisha Amarnath Jonniya ◽  
Sayan Poddar ◽  
Parimal Kar
Keyword(s):  
Virtual Screening ◽  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Docking Study ◽  
Simulation Studies ◽  
Main Protease

We have performed vitual screening of 1000 ligands and identified 9 compounds that can potentially inhibit SARS-CoV-2 3CLpro. This docking study is further complemented by the MD/MMGBSA study.<br>

scholarly journals Finding Potent Inhibitors Against SARS-CoV-2 Main Protease Through Virtual Screening, ADMET, and Molecular Dynamic Simulation Studies

2020 ◽  
Author(s):  
Rajarshi Roy ◽  
Md Fulbabu Sk ◽  
Nisha Amarnath Jonniya ◽  
Sayan Poddar ◽  
Parimal Kar
Keyword(s):  
Virtual Screening ◽  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Docking Study ◽  
Simulation Studies ◽  
Main Protease

We have performed vitual screening of 1000 ligands and identified 9 compounds that can potentially inhibit SARS-CoV-2 3CLpro. This docking study is further complemented by the MD/MMGBSA study.<br>

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