Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations

Published:2021-10 Issue: Volume:217 Page:104394
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Masand Vijay H.,Sk Md Fulbabu^ORCID,Kar Parimal^ORCID,Rastija Vesna,Zaki Magdi E.A.^ORCID

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference56 articles.

1. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors;Zhang;Science,2020

2. Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods;Wu;Acta Pharm. Sin. B,2020

3. Extending the identification of structural features responsible for anti-SARS-CoV activity of peptide-type compounds using QSAR modelling;Masand;SAR QSAR Environ. Res.,2020

4. Structure features of peptide-type SARS-CoV main protease inhibitors: quantitative structure activity relationship study;Masand;Chemometr. Intell. Lab. Syst.,2020

5. Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase;Khan;J. Biomol. Struct. Dyn.,2020

Cited by 11 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. Computational Investigation of Isoxazole‐Based Molecules as Potential Drug‐Resistant Anti‐Tuberculosis H37Rv.;ChemistrySelect;2023-07-03

2. When Machine Learning and Deep Learning Come to the Big Data in Food Chemistry;ACS Omega;2023-04-25

3. Identification of and Mechanistic Insights into SARS-CoV-2 Main Protease Non-Covalent Inhibitors: An In-Silico Study;International Journal of Molecular Sciences;2023-02-20

4. Comparison on inhibitory effect and mechanism of inhibitors on sPPO and mPPO purified from ‘Lijiang snow’ peach by combining multispectroscopic analysis, molecular docking and molecular dynamics simulation;Food Chemistry;2023-01

5. Potential inhibitory properties of structurally modified quercetin/isohamnetin glucosides against SARS-CoV-2 Mpro; molecular docking and dynamics simulation strategies;Informatics in Medicine Unlocked;2023