Prospection of Novel Coronavirus Covid-2019 Proteins and Bioinformatic Potential in Search of New Promising Drugs

Authors

DOI:

https://doi.org/10.9771/cp.v13i2.36008

Keywords:

COVID-2019, Prospection, Docking Molecular.

Abstract

COVID-2019 disease, caused by the 2019-nCOV virus or SARS-Cov-2, adds up to just over 290 thousand cases and 12 thousand deaths worldwide. No clinical studies are indicating effective treatments, and the identification of suitable antiviral agents is a crucial step in combating the pandemic. This research constitutes a survey of SARS-Cov-2 proteins from the Protein Data Bank (PDB), eligible as targets for docking of inhibitory substances. later, in silico tests were performed with two enzymatic targets in interaction with the drugs Ledipasvir and Ombitasvir. Prospecting in the PDB reported 29 proteins. 6vsb and 6m17 were selected for docking with Ledispasvir, resulting in interaction energies equal to -6.88 and -6.25kJ / mol, respectively. For the same targets, the drug Ombitasvir obtained -5.96 and -4.53kJ / mol. The study showed the advances in COVID-19 research, presenting 29 structures. The drugs tested showed favorable parameters for continuing in vitro and clinical studies.

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Author Biographies

Ruan Sousa Bastos, Federal University of Pará, Belém, PA, Brazil

Graduated in Natural Sciences/Chemistry from the Federal University of Maranhão - UFMA, Campus de Grajaú. Master's student in Medicinal Chemistry and Molecular Modeling - UFPA. Participated in the Institutional Scholarship Program for Teaching Initiation - PIBID and in the Pedagogical Residency Program. Member of the Research Group on Medicinal Chemistry and Biotechnology - QUIMEBIO and member of the Research Group on Natural Sciences and Biotechnology - CIENATEC. He works in the lines of Biotechnology and Computational Quantum Chemistry.

Jefferson Santos Oliveira, Federal University of Maranhão, Imperatriz, MA, Brazil

postgraduate student in Materials Science at the Federal University of Maranhão (PPGCM-UFMA). Degree in Chemistry from the Federal Institute of Education, Science and Technology of Maranhão (IFMA). Current line of research consists of synthesis of organic crystals and characterization by X-Ray Diffraction, Raman Spectroscopy, and Thermal Analysis. He was a Scientific Initiation Scholar in the area of ​​microbiology, where he investigated the contamination of Staphylococcus in milk sold informally in Açailândia-MA. Still as a Scientific Initiation student, he studied the potential of steel residues (blast furnace slag and balloon dust) as agricultural correctives. He was also a volunteer in the Institutional Scholarship Program for Initiation to Teaching (PIBID), in which he developed pedagogical activities in a high school in Açailandia MA, and studied the use of concept maps for the revision of the High School Chemistry curriculum.

Marcelo Henrique Vilhena da Silva, Federal Institute of Pará, Belém, PA, Brazil.

He holds a degree in Full Degree in Chemistry from the Federal Institute of Education, Science and Technology of Pará (2004), a degree in dentistry from the Federal University of Pará (2011) and a master's degree in Mechanical Engineering from the Federal University of Pará (2018). He is currently an ebtt professor at the Federal Institute of Education, Science and Technology of Pará. Has experience in Chemistry, with emphasis on Corrosion, Teaching, Environmental Chemistry.

Francisco das Chagas Alves Lima, State University of Piauí, Teresina, PI, Brazil

Graduated in Full Licentiate in Chemistry from the Federal University of Piauí (2002), Master's from the University of São Paulo (2004). PhD from the University of São Paulo at the São Carlos Institute of Chemistry (2008).

Jefferson Almeida Rocha, Federal University of Maranhão, Campus of São Bernardo, MA, Brazil

Graduated in Biological Sciences from the State University of Piauí - UESPI where he participated in the microbiology research group - LABMICRO. Specialization in Environmental Management from Faculdade Latinoamericana de Educação - FLATED, with emphasis on Water Resources. Master in Biotechnology from the Federal University of Piauí - UFPI. Doctor in Biotechnology by the Northeast Biotechnology Network - RENORBIO. Leader/Founder of the Research Group in Natural Sciences and Biotechnology - CIENATEC at UFMA/Campus de Grajaú. He is currently an Adjunct Professor at the Federal University of Maranhão - UFMA, Campus de São Bernardo, Permanent Member of the Professional Master's Degree in Intellectual Property and Network Technology Transfer (PROFNIT/UFMA) and Permanent Member of the Graduate Program in Biotechnology - PPGBiotec, at Master's level at the Federal University of Delta do Parnaíba - UFDPAR. It operates in the lines of Biotechnology, Medicinal Chemistry, Computational Quantum Chemistry, Bioinformatics, Bioprospecting of bioactive extracts, Research against Neglected Diseases and Intellectual Property and Innovation.

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Published

2020-04-16

How to Cite

Bastos, R. S., Sousa, C. S. ., Oliveira, J. S. ., Silva, M. H. V. da ., Lima, F. das C. A., & Rocha, J. A. . (2020). Prospection of Novel Coronavirus Covid-2019 Proteins and Bioinformatic Potential in Search of New Promising Drugs. Cadernos De Prospecção, 13(2), 347. https://doi.org/10.9771/cp.v13i2.36008

Issue

Vol. 13 No. 2 (2020): Edição Especial - Coronavírus (SARS-COV-2) e COVID-19

Section

Coronavirus (SARS-COV-2) e COVID-19

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Copyright (c) 2020 Cadernos de Prospecção

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