In silico study of the interactions of Pilocarpus microphyllus imidazolic alkaloids with the main protease (Mpro) of SARS-CoV-2-Reference-Cited by-同舟云学术

In silico study of the interactions of Pilocarpus microphyllus imidazolic alkaloids with the main protease (Mpro) of SARS-CoV-2

Published:2021-01-02 Issue:1 Volume:47 Page:74-87
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

de Sá Ézio R. A.¹,Costa Allan N.²,Costa Rayla K. M.³,Souza Janilson L.⁴,Ramos Ricardo M.⁵,Lima Francisco das C. A.³

Affiliation:

1. Federal Institute of Education, Science and Technology of Piauí, IFPI, Picos, Brazil

2. Federal Institute of Education, Science and Technology of Pará, IFPA, Conceição do Araguaia, Brazil

3. Research Laboratory of the Computational Quantum Chemistry and Drug Planning Group, Chemistry Department, State Univerty of Piauí, GQQC&PF/UESPI, Teresina, Brazil

4. Federal Institute of Education, Science and Technology of Maranhão, IFMA, Bacabal, Brazil

5. Research Laboratory in Information Systems, Information Department, Environment, Health and Food Production, Federal Institute of Education, Science and Technology of Piauí, LaPeSI/IFPI, Teresina, Brazil

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2021.1873321

Reference90 articles.

1. In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2’s Main Protease

2. A Novel Coronavirus from Patients with Pneumonia in China, 2019

3. Global coalition to accelerate COVID-19 clinical research in resource-limited settings

4. OPAS/OMS Brazil. (2020). Fact sheet - COVID-19 (disease caused by the new coronavirus). Brasilia, DF, Brazil. https://www.paho.org/bra/ (accessed 30.11.2020).

5. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

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