Discovery of Natural Bisbenzylisoquinoline Analogs from the Library of Thai Traditional Plants as SARS-CoV-2 3CLPro Inhibitors: In Silico Molecular Docking, Molecular Dynamics, and In Vitro Enzymatic Activity-Reference-Cited by-同舟云学术

Discovery of Natural Bisbenzylisoquinoline Analogs from the Library of Thai Traditional Plants as SARS-CoV-2 3CL^Pro Inhibitors: In Silico Molecular Docking, Molecular Dynamics, and In Vitro Enzymatic Activity

Published:2023-01-17 Issue:7 Volume:63 Page:2104-2121
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Khamto Nopawit¹²,Utama Kraikrit³⁴,Tateing Suriya⁵,Sangthong Padchanee¹⁴,Rithchumpon Puracheth¹,Cheechana Nathaporn¹²,Saiai Aroonchai¹,Semakul Natthawat¹⁴⁶,Punyodom Winita¹⁶⁷,Meepowpan Puttinan¹⁶⁷^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

2. Graduate School, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

3. Interdisciplinary Program in Biotechnology, Graduate School, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

4. Research Center on Chemistry for Development of Health Promoting Products from Northern Resources, Faculty of Science, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

5. Department of Plant and Soil Sciences, Faculty of Agriculture, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

6. Center of Excellence in Materials Science and Technology, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

7. Center of Excellence for Innovation in Chemistry (PERCH-CIC), Faculty of Science, Chiang Mai University, 239 Huay Kaew Road, Chiang Mai50200, Thailand

Funder

Chiang Mai University

National Research Council of Thailand

Department of Chemistry, Faculty of Science, Chiang Mai University

Center of Excellence for Innovation in Chemistry

Center of Excellence in Materials Science and Technology, Faculty of Science, Chiang Mai University

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01309