A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesis-Reference-Cited by-同舟云学术

A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesis

Published:2022 Issue:21 Volume:46 Page:10154-10161
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Moukhliss Youness¹,Koubi Yassine¹,Alaqarbeh Marwa²^ORCID,Alsakhen Nada³,Hamzeh Samer³,Maghat Hamid¹,Sbai Abdelouahid¹,Bouachrine Mohammed¹⁴,Lakhlifi Tahar¹

Affiliation:

1. Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco

2. National Agricultural Research Center, Al-Baqa, 19381, Jordan

3. Department of Chemistry, Faculty of Science, The Hashemite University, Zarqa, Jordan

4. EST Khenifra, Sultan Moulay Slimane University, Beni Mellal, Morocco

Abstract

In the light of the serious diseases attributed to it, there is an urgent and inescapable need to hunt for antiviral medications for Coxsackievirus B3 (CVB3).

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ01397E

Reference31 articles.

1. 3D-QSAR Study of the Chalcone Derivatives as Anticancer Agents

Cited by 7 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 Analysis and Anti‐Hiv/Antifungal Studies of 2‐Aryl‐N1‐Arylacetamido Benzimidazole Derivatives;ChemistrySelect;2024-08-22

2. Molecular Design and In-Silico Analysis of Trisubstituted Benzimidazole Derivatives as Ftsz Inhibitor;Journal of Chemistry;2023-03-01

3. Computational and Retrosynthetic Investigation of Isoxazole‐Bearing Chalcones as Antioxidant Activate Compounds;ChemistrySelect;2023-02-15

4. Computational investigation of novel pyrimidine derivatives as potent FAK inhibitorsvia3D-QSAR, molecular docking, molecular dynamics simulation and retrosynthesis;New Journal of Chemistry;2023

5. A computational study of Di-substituted 1,2,3-triazole derivatives as potential drug candidates against Mycobacterium tuberculosis: 3D-QSAR, molecular docking, molecular dynamics, and ADMETox;New Journal of Chemistry;2023