Article Per Year (5 Year)
p-Index From 2020 - 2025
0.23
P-Index
This Author published in this journals
All Journal IJFAC (Indonesian Journal of Fundamental and Applied Chemistry)
Jason T Kilembe
Department of Chemistry, Faculty of Sciences, University of Kinshasa, P.O Box 190, Kinshasa 11, Congo
Biochemistry, Genetics & Molecular Biology Chemistry Environmental Science

Published : 1 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search

 1 
In silico screening of natural compounds from Jatropha curcas (Euphorbiaceae, Linn) and Jatropha gossypifolia (Euphorbiaceae, Linn) against SARS-CoV2, a COVID-19 main protease, using molecular docking approach Emmanuel Kitete Mulongo; Jason T Kilembe; Gedeon Ngiala Bongo; Koto-te-Nyiwa Ngbolua; Dorothée Tshilanda Dinangayi; Damien Sha Tshibey Tshibangu; Pius T Mpiana
IJFAC (Indonesian Journal of Fundamental and Applied Chemistry) Vol 7, No 3 (2022): October 2022
Publisher : IJFAC (Indonesian Journal of Fundamental and Applied Chemistry)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24845/ijfac.v7.i3.148

Abstract

SARS-Cov2, the COVID-19 main protease is set to be a good target for potential inhibitors especially from plants. 6LU7, the crystal structure of COVID-19 has been used for docking with natural compounds from Jatropha curcas and Jatropha gossypifolia. The following compounds identified within J. curcas have given good binding affinities than Azythromycin (control sample): 2-methyl anthraquinone, Curcusone D, Palmarumycin CP1, Apigenin, Jatropholone A, Jatropholone B, Spirocurcasone and Multidione. The best score is for Palmarumycin CP1 -8.2 Kcal/mol. All these compounds are R05 satisfied, good HIA scores and good pharmacokinetic properties. In J.gossypifolia, 2,24,25-Trihydroxylanosta-1,7-dien-3-one ; Cleomiscosin A, Citlalitrione, Gossypifan, Jatrophenone, Jatropholone A, Jatropholone B, Gadain, Gossypidien, Falodone and Gossypiline are having good binding affinities than Azythromycin (control sample). The best score is for Cleomiscosin A -8.2 Kcal/mol. All these compounds are R05 satisfied, good HIA scores and good pharmacokinetic properties. This study has shown anti-COVID-19 potential of these two plants.
Co-Authors Damien Sha Tshibey Tshibangu Dorothée Tshilanda Dinangayi Emmanuel Kitete Mulongo Gedeon Ngiala Bongo Koto-te-Nyiwa Ngbolua Pius T Mpiana