Tags

Type your tag names separated by a space and hit enter

Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants.
J Pharm Anal. 2020 Aug; 10(4):313-319.JP

Abstract

The recent pandemic of coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has raised global health concerns. The viral 3-chymotrypsin-like cysteine protease (3CLpro) enzyme controls coronavirus replication and is essential for its life cycle. 3CLpro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of SARS-CoV. Therefore, herein, we analysed the 3CLpro sequence, constructed its 3D homology model, and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal compounds. Our analyses revealed that the top nine hits might serve as potential anti- SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19.

Authors+Show Affiliations

College of Life Science and Technology, Guangxi University, Nanning, 530004, PR China. Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, 430070, PR China.Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11323, Alkarj, Saudi Arabia.Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11323, Alkarj, Saudi Arabia.College of Life Science and Technology, Guangxi University, Nanning, 530004, PR China. Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, 430070, PR China.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

32296570

Citation

Tahir Ul Qamar, Muhammad, et al. "Structural Basis of SARS-CoV-2 3CLpro and anti-COVID-19 Drug Discovery From Medicinal Plants." Journal of Pharmaceutical Analysis, vol. 10, no. 4, 2020, pp. 313-319.
Tahir Ul Qamar M, Alqahtani SM, Alamri MA, et al. Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants. J Pharm Anal. 2020;10(4):313-319.
Tahir Ul Qamar, M., Alqahtani, S. M., Alamri, M. A., & Chen, L. L. (2020). Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants. Journal of Pharmaceutical Analysis, 10(4), 313-319. https://doi.org/10.1016/j.jpha.2020.03.009
Tahir Ul Qamar M, et al. Structural Basis of SARS-CoV-2 3CLpro and anti-COVID-19 Drug Discovery From Medicinal Plants. J Pharm Anal. 2020;10(4):313-319. PubMed PMID: 32296570.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants. AU - Tahir Ul Qamar,Muhammad, AU - Alqahtani,Safar M, AU - Alamri,Mubarak A, AU - Chen,Ling-Ling, Y1 - 2020/03/26/ PY - 2020/02/05/received PY - 2020/03/20/revised PY - 2020/03/21/accepted PY - 2020/4/17/pubmed PY - 2020/4/17/medline PY - 2020/4/17/entrez KW - COVID-19 KW - Coronavirus KW - Molecular docking KW - Molecular dynamics simulation KW - Natural products KW - Protein homology modelling KW - SARS-CoV-2 SP - 313 EP - 319 JF - Journal of pharmaceutical analysis JO - J Pharm Anal VL - 10 IS - 4 N2 - The recent pandemic of coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has raised global health concerns. The viral 3-chymotrypsin-like cysteine protease (3CLpro) enzyme controls coronavirus replication and is essential for its life cycle. 3CLpro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of SARS-CoV. Therefore, herein, we analysed the 3CLpro sequence, constructed its 3D homology model, and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal compounds. Our analyses revealed that the top nine hits might serve as potential anti- SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19. SN - 2214-0883 UR - https://www.unboundmedicine.com/medline/citation/32296570/Structural_basis_of_SARS_CoV_2_3CLpro_and_anti_COVID_19_drug_discovery_from_medicinal_plants_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S2095-1779(20)30127-1 DB - PRIME DP - Unbound Medicine ER -
Try the Free App:
Prime PubMed app for iOS iPhone iPad
Prime PubMed app for Android
Prime PubMed is provided
free to individuals by:
Unbound Medicine.