EventsMOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published
This submission belongs to the session 01. CHEMBIO.INFO-09: Cheminfo., Chemom., Comput. Quantum Chem. & Bioinfo. Congress München, GR-Chapel Hill, USA, 2023. of the event MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published date
11 Jun, 2023
Academic Editor
author-avatarHumbert G. Díaz
Citation
Alex FM Monteiro, Arthur VT Oliveira, Celso Amorim Câmara, Mini Review: Identification of Arginase Flavonoid Inhibitors against Leishmaniasis and Molecular Docking of Flavonoids, in Proceedings of MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed., 25 December–31 December 2023, MDPI: Basel, Switzerland
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Mini Review: Identification of Arginase Flavonoid Inhibitors against Leishmaniasis and Molecular Docking of Flavonoids

Arthur VT Oliveira 1
Celso Amorim Câmara 1
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1. Postgraduate Program in Chemistry - Federal Rural University of Pernambuco - UFRPE - Recife - PE.
2. Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil.
Abstract

Leishmaniasis is a significant global health problem caused by parasites transmitted through sandflies. Current treatments have limitations, and the lack of vaccines necessitates the exploration of new therapeutic options. One potential target is a protein called glycoprotein 63 (gp63), found on the surface of Leishmania parasites, which plays a role in the parasite's virulence. Computational methods, including molecular docking, can help predict protein structures and interactions with small molecules. This study presents a three-dimensional model of gp63 from Leishmania panamensis, validated for reliability. Molecular docking was used to analyze the binding of flavonoid compounds with gp63 from L. major and L. panamensis, providing insights for potential inhibitors. Another study discusses the importance of arginase, an enzyme involved in the parasite's survival, as a therapeutic target for Leishmania. Arginase inhibitors have shown promise in controlling infection by inducing oxidative stress in the parasite. Natural compounds, particularly flavonoids, have shown promise as arginase inhibitors and potential therapeutic agents against leishmaniasis.

Keywords
Flavonoids
leishmaniasis
arginase
leishmanolysin
molecular docking.
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