Virtual screening, ADMET profiling, PASS prediction, and bioactivity studies of potential inhibitory roles of alkaloids, phytosterols, and flavonoids against COVID-19 main protease (Mpro)-Reference-Cited by-同舟云学术

Virtual screening, ADMET profiling, PASS prediction, and bioactivity studies of potential inhibitory roles of alkaloids, phytosterols, and flavonoids against COVID-19 main protease (Mpro)

Published:2021-06-09 Issue: Volume: Page:1-7
ISSN:1478-6419
Container-title:Natural Product Research
language:en
Short-container-title:Natural Product Research

Author:

Abdul-Hammed Misbaudeen¹^ORCID,Adedotun Ibrahim Olaide¹^ORCID,Olajide Monsurat²^ORCID,Irabor Christianah Otoame¹^ORCID,Afolabi Tolulope Irapada¹^ORCID,Gbadebo Ibrahim Olajide³^ORCID,Rhyman Lydia⁴⁵^ORCID,Ramasami Ponnadurai⁴⁵^ORCID

Affiliation:

1. Computational Biophysical Chemistry Laboratory, Department of Pure and Applied Chemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria

2. Department of Biochemistry, College of Natural and Applied Sciences, Crescent University, Sapon, Abeokuta, Ogun State, Nigeria

3. Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Nigeria

4. Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, Mauritius

5. Centre for Natural Product Research, Department of Chemical Sciences, University of Johannesburg, Doornfontein, Johannesburg, South Africa

Publisher

Informa UK Limited

Subject

Organic Chemistry,Plant Science,Biochemistry,Analytical Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/14786419.2021.1935933

Reference13 articles.

1. Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain

2. An Intuitive Look at the Relationship of Ki and IC50: A More General Use for the Dixon Plot

3. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

4. PASS-assisted exploration of new therapeutic potential of natural products

5. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

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