02507nas a2200445 4500008004100000245013500041210006900176260001600245300001200261490000700273520111600280653002001396653001401416653002301430653001501453653002301468100002401491700002501515700003501540700003101575700003201606700003001638700002801668700002101696700002301717700002901740700002201769700002801791700002901819700002401848700000501872700001901877700002501896700002101921700001801942700002801960700001601988700002102004856003602025 2022 eng d00aIn Silico Screening of Bioactive Compounds from Syzygium cumini L. and Moringa oleifera L. Against SARS-CoV-2 via Tetra Inhibitors0 aIn Silico Screening of Bioactive Compounds from Syzygium cumini cAugust 2022 a267-2720 v143 a
The global pandemic of COVID-19 has caused disastrous consequences for both humans and the economy. The purpose of this study was to determine the potential of juwet (Syzygium cumini L.) and moringa (Moringa oleifera L.) as inhibitors of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an in-silico approach. Samples were obtained from PubChem and RSCB PDB databases. The drug similarity analysis was determined using Swiss ADME and the Lipinski rule of five. Prediction of antivirus probabilities is carried out with PASS Online. Molecular screening is performed by molecular docking using PyRx. Visualization was used using PyMol and Discovery Studio. The bioactive compounds with the best antiviral potential had the lowest affinity bonds to the target proteins against RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. Results show that ellagic acid from java plum and myricetin from moringa have the best potential as potential antivirals. However, more research is required to validate the results of these computational predictions.
10aAntiviral agent10ain silico10aMoringa Oleifera L10aSARS-CoV-210aSyzygium cumini L.1 aAini, Nur, Sofiatul1 aKharisma, Viol, Dhea1 aWidyananda, Muhammad, Hermawan1 aMurtadlo, Ahmad, Affan Ali1 aProbojati, Rasyadan, Taufiq1 aTurista, Dora, Dayu Rahma1 aTamam, Muhammad, Badrut1 aJakhmola, Vikash1 aSari, Devni, Prima1 aAlbari, Muhammad, Thoriq1 aPernamasari, Devi1 aGhifari, Muhammad, Arya1 aGhifari, Muhammad, Raffi1 aMandeli, Riso, Sari1 a1 aOktavia, Budhi1 aSari, Trisna, Kumala1 aSriwahyuni, Titi1 aAzhari, Putri1 aMaahury, Mirella, Fonda1 aAnsori, ANM1 aZainul, Rahadian uhttps://phcogj.com/article/1832