Identification of potential bioactive natural compounds from Indonesian medicinal plants against 3-chymotrypsin-like protease (3CL<sup>pro</sup>) of SARS-CoV-2: molecular docking, ADME/T, molecular dynamic simulations, and DFT analysis-Reference-Cited by-同舟云学术

Identification of potential bioactive natural compounds from Indonesian medicinal plants against 3-chymotrypsin-like protease (3CL^pro) of SARS-CoV-2: molecular docking, ADME/T, molecular dynamic simulations, and DFT analysis

Published:2022-04-26 Issue: Volume: Page:1-18
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Prasetyo Wahyu Eko¹^ORCID,Purnomo Heri¹,Sadrini Miracle¹,Wibowo Fajar Rakhman¹^ORCID,Firdaus Maulidan¹^ORCID,Kusumaningsih Triana¹^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Mathematics and Natural Sciences, Sebelas Maret University, Surakarta, Indonesia

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2068071

Reference112 articles.

1. Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

2. In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria

3. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

4. Synthesis, anti-bacterial evaluation, DFT study and molecular docking as a potential 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2 inhibitors of a novel Schiff bases

5. Anin silicoperception for newly isolated flavonoids from peach fruit as privileged avenue for a countermeasure outbreak of COVID-19

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