Literature DB >> 32643410

Bioactive compounds from marine resources against novel corona virus (2019-nCoV): in silico study for corona viral drug.

R Vijayaraj1, K Altaff1, A Sherlin Rosita2, S Ramadevi3, J Revathy3.   

Abstract

Present research reports the molecular docking analysis of 2019-nCoV inhibition by antiviral compounds from marine natural resources. For this study, the structure of ligand (antiviral compound) and 2019-nCoV main protease (Mpro) was received from the databases of PubChem and Protein Data Bank (PDB), respectively. Molecular Docking was performed by Autodock version 4.2.6 software. Eight antiviral compounds identified showed inhibitory activities against novel 2019-nCoV protease. Of these compounds, Esculetin ethyl ester (-8.42 kcal/mol) from Marine Sponges Axinella cf. corrugata, has the strongest interaction with the protease enzyme of 2019-nCoV and it may be considered as an effective 2019-nCoV antiprotease drug.[Figure: see text].

Entities:  

Keywords:  2019-nCoV; Antiviral drug; Bioactive Compounds; Esculetin ethyl ester

Mesh：

Substances：

Year:  2020        PMID： 32643410     DOI： 10.1080/14786419.2020.1791115

Source DB:  PubMed          Journal:  Nat Prod Res        ISSN： 1478-6419            Impact factor:   2.861


  7 in total

Review 1.  The vital role of animal, marine, and microbial natural products against COVID-19.

Authors:  Aljawharah A Alqathama; Rizwan Ahmad; Ruba B Alsaedi; Raghad A Alghamdi; Ekram H Abkar; Rola H Alrehaly; Ashraf N Abdalla
Journal:  Pharm Biol       Date:  2022-12       Impact factor: 3.503

Review 2.  Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.

Authors:  Kaifu Gao; Rui Wang; Jiahui Chen; Limei Cheng; Jaclyn Frishcosy; Yuta Huzumi; Yuchi Qiu; Tom Schluckbier; Xiaoqi Wei; Guo-Wei Wei
Journal:  Chem Rev       Date:  2022-05-20       Impact factor: 72.087

Review 3.  A review on potential of natural products in the management of COVID-19.

Authors:  Rudra Chakravarti; Rajveer Singh; Arijit Ghosh; Dhritiman Dey; Priyanka Sharma; Ravichandiran Velayutham; Syamal Roy; Dipanjan Ghosh
Journal:  RSC Adv       Date:  2021-05-12       Impact factor: 4.036

Review 4.  Recent progresses in marine microbial-derived antiviral natural products.

Authors:  Yun-Fei Teng; Li Xu; Mei-Yan Wei; Chang-Yun Wang; Yu-Cheng Gu; Chang-Lun Shao
Journal:  Arch Pharm Res       Date:  2020-11-21       Impact factor: 4.946

5.  Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2.

Authors:  Vikas Kumar; Shraddha Parate; Sanghwa Yoon; Gihwan Lee; Keun Woo Lee
Journal:  Front Microbiol       Date:  2021-04-21       Impact factor: 5.640

Review 6.  Natural Bioactive Molecules: An Alternative Approach to the Treatment and Control of COVID-19.

Authors:  Fahadul Islam; Shabana Bibi; Atkia Farzana Khan Meem; Md Mohaimenul Islam; Md Saidur Rahaman; Sristy Bepary; Md Mizanur Rahman; Md Mominur Rahman; Amin Elzaki; Samih Kajoak; Hamid Osman; Mohamed ElSamani; Mayeen Uddin Khandaker; Abubakr M Idris; Talha Bin Emran
Journal:  Int J Mol Sci       Date:  2021-11-23       Impact factor: 5.923

Review 7.  Marine Sponge is a Promising Natural Source of Anti-SARS-CoV-2 Scaffold.

Authors:  Alshaimaa M Hamoda; Bahgat Fayed; Naglaa S Ashmawy; Abdel-Nasser A El-Shorbagi; Rania Hamdy; Sameh S M Soliman
Journal:  Front Pharmacol       Date:  2021-05-13       Impact factor: 5.810
  7 in total

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