In silico Screening of the Potential Anti-SARS-CoV-2 Activities of Peptides from Vipera ammodytes ammodytes Venom by Molecular Docking

Authors : Süleyman İLHAN

Pages : 839-850

Doi:10.21597/jist.1179752

View : 70 | Download : 39

Publication Date : 2023-06-01

Article Type : Research Paper

Abstract :The coronavirus disease 2019 insert ignore into journalissuearticles values(COVID-19); is induced by the SARS-CoV-2 virus, which caused the global pandemic, infecting approximately 608.328.548 confirmed cases and bringing about 6.501.469 deaths worldwide, as WHO stated in September 2022. The disease is more deadly due to the lack of specific drug molecules or a treatment plan. Therefore, the development of potent pharmacological compounds is urgently required to combat COVID-19. Due to their biological actions, snake venoms constitute a source of potentially beneficial medicinal compounds. Vipera ammodytes ammodytes insert ignore into journalissuearticles values(VA); is a viper species whose venom has been shown to have anti-proliferative, antimetastatic, anti-cancer, and anti-microbial activities. This in silico study was conducted to evaluate the efficacy of selected VA venom proteins insert ignore into journalissuearticles values(Adamalysin II, Ammodytoxin A, Ammodytin L, L-amino acid oxidase); against molecular targets; Main protease insert ignore into journalissuearticles values(3CLpro); and Angiotensin-Converting Enzyme 2 insert ignore into journalissuearticles values(ACE2); by molecular docking study. Molecular docking investigations were performed by using AutoDock Vina software. All compounds displayed negative binding energy values to 3CLpro and ACE2, suggesting that their interactions with the active sites were favourable. L-amino acid oxidase had the highest binding affinity with both 3CLpro and ACE2. This study revealed for the first time that VA venom proteins are functional inhibitors of 3CLpro and ACE2 activities, and the components of VA venom can be considered potential SARS-CoV-2 inhibitors. However, more studies are needed to validate these compounds in vitro and in vivo.
Keywords : Vipera ammodytes ammodytes, SARS CoV 2, molecular docking, venom, ACE2, 3CLpro

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