Molecular Docking of Phytochemical Compounds of Momordica charantia as Potential Inhibitors against SARS-CoV-2.

Autor:	Evary YM; Hasanuddin University, Pharmacy Science and Technology Department, Fakultas Farmasi UNHAS, Jalan Perintis Kemerdekaan Km. 10, Tamalanrea, Makassar, Indonesia., Masyita A; Hasanuddin University, Pharmacy Science and Technology Department, Fakultas Farmasi UNHAS, Jalan Perintis Kemerdekaan Km. 10, Tamalanrea, Makassar, Indonesia., Kurnianto AA; Hasanuddin University, Pharmacy Science and Technology Department, Fakultas Farmasi UNHAS, Jalan Perintis Kemerdekaan Km. 10, Tamalanrea, Makassar, Indonesia., Asri RM; Hasanuddin University, Pharmacy Science and Technology Department, Fakultas Farmasi UNHAS, Jalan Perintis Kemerdekaan Km. 10, Tamalanrea, Makassar, Indonesia., Rifai Y; Hasanuddin University, Pharmacy Science and Technology Department, Fakultas Farmasi UNHAS, Jalan Perintis Kemerdekaan Km. 10, Tamalanrea, Makassar, Indonesia.
Jazyk:	angličtina
Zdroj:	Infectious disorders drug targets [Infect Disord Drug Targets] 2022; Vol. 22 (3), pp. e130122200221.
DOI:	10.2174/1871526522666220113143358
Abstrakt:	Background: Coronavirus disease 2019 (COVID-19) has been recently declared as a global public health emergency, where the infection is caused by SARS-CoV-2. Nowadays, there is no specific treatment to cure this infection. The main protease (M pro ) of SARS-CoV-2 and SARS spike glycoprotein- human ACE2 complex have been recognized as suitable targets for treatment, including COVID-19 vaccines. Objective: In our current study, we identified the potential of Momordica charantia as a prospective alternative and a choice in dietary food during a pandemic. Materials and Methods: A total of 16 bioactive compounds of Momordica charantia were screened for activity against 6LU7 and 6CS2 with AutoDockVina. Results: We found that momordicoside B showed the lowest binding energy compared to other compounds. In addition, kuguaglycoside A and cucurbitadienol showed better profiles for drug-like properties based on Lipinski's rule of five. Conclusion: Our result indicates that these molecules can be further explored as promising candidates against SARS-CoV-2 or Momordica charantia can be used as one of the best food alternatives to be consumed during the pandemic. (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)
Databáze:	MEDLINE
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