Could Momordica Charantia Be Effective In The Treatment of COVID19?

Burak Tüzün; Koray Sayin; Hilmi Ataseven

doi:10.17776/csj.1009906

Araştırma Makalesi

Could Momordica Charantia Be Effective In The Treatment of COVID19?

Yıl 2022, Cilt: 43 Sayı: 2, 211 - 220, 29.06.2022

Burak Tüzün Koray Sayin Hilmi Ataseven

https://doi.org/10.17776/csj.1009906

Cited By: 8

Öz

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.

Anahtar Kelimeler

SARS-CoV-2, Molecular docking, COVID-19, Momordica charantia, ADME/T .

Destekleyen Kurum

sivas cumhuriyet üniversite

Proje Numarası

rgd-020

Teşekkür

This work is supported by the Scientific Research Project Fund of Sivas Cumhuriyet University under the project number RGD-020. This research was made possible by TUBITAK ULAKBIM, High Performance, and Grid Computing Center (TR-Grid e-Infrastructure).

Kaynakça

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