Could Momordica Charantia Be Effective In The Treatment of COVID19?
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Published:2022-06-29
Issue:2
Volume:43
Page:211-220
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ISSN:2587-2680
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Container-title:Cumhuriyet Science Journal
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language:en
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Short-container-title:CSJ
Author:
TÜZÜN Burak1, SAYİN Koray2, ATASEVEN Hilmi2
Affiliation:
1. CUMHURİYET ÜNİVERSİTESİ, FEN FAKÜLTESİ 2. SİVAS CUMHURİYET ÜNİVERSİTESİ
Abstract
One of the deadliest diseases is the SARS-CoV-2 virus, today. The rate of spread of this virus is very high. Momordica Charantia extracts studied for this virus. The inhibitory activities of 96 components in the extract of Momordica Charantia were compared against the SARS-CoV-2 virus. Molecular docking method was initially used for this comparison. ADME/T analysis of the inhibitors with the highest inhibitory activity was performed using the results obtained from these calculations. The molecular docking calculations of the molecule with the highest inhibitory activity were tried to be supported by MM-PBSA calculations. The molecular mechanics Poisson-Boltzmann surface binding free energy values of area (MM-PBSA) calculations study interactions between inhibitor molecules and SARS-CoV-2 virus proteins at 100 ps. Finally, the molecules with the highest inhibitory activity were compared with FDA approved drugs. As a result of the made molecular docking calculations, the docking score parameter is Karaviloside III with -9.36, among the extracts of momordica charantia, which has the most negative value. The Gibbs free energy value of the Karaviloside III against 6X6P protein with the best docking score value was calculated. This value is -477143.61±476.53. As a result of the comparison of inhibitory activities of extracts of Momordica charantia against SARS-CoV-2 virus, it has been observed that the Karaviloside III molecule has higher inhibitory activity than other melodies and FDA drugs.
Publisher
Cumhuriyet University
Reference49 articles.
1. [1] Gorbalenya A.E., Baker S.C., Baric R., Groot R.J.D., Drosten C., Gulyaeva A.A., ... Ziebuhr J., Severe acute respiratory syndrome-related coronavirus: Classifying 2019-NCoV and naming it SARS-CoV-2, Nature Microbiology, (2020) 1–9. 2. [2] Alagaili A.N., Briese T., Mishra N., Kapoor V., Sameroff S.C., de Wit E., ... Lipkin W.I., Middle East respiratory syndrome coronavirus infection in dromedary camels in Saudi Arabia, MBio, 5(2) (2014) e00884-14. 3. [3] Chen N., Zhou M., Dong X., Qu J., Gong F., Han Y., ... Zhang L., Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study, The Lancet, 395(10223) (2020) 507-513. 4. [4] Ahmed F.S., Quadeer A.A., McKay R.M., Preliminary identification of potential vaccine targets for the COVID-19 coronavirus (SARS-CoV-2) based on SARS-CoV immunological studies, Viruses, 12(3) (2020) 254. 5. [5] Tao Y., Shi M., Chommanard C., Queen K., Zhang J., Markotter W., ... Tong S., Surveillance of bat coronaviruses in Kenya identifies relatives of human coronaviruses NL63 and 229E and their recombination history, Journal of Virology, 91(5) (2017) e01953–16.
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