SOME NATURAL FLAVONOIDS FROM GUAVA (PSIDIUM GUAJAVA L.) AGAINST SARS COV-2, INSILICO PREDICTION AND DRUGS EVALUATION

• Main Author: Arief Kusuma Wardani (Author)
• Format: Book
• Published: Universitas Muhammadiyah Magelang, 2022-06-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.
• Notes: 10.31603/pharmacy.v8i2.6441; 2549-9068; 2579-4558
• Keywords: Molecular docking; Chemical interaction; Flavonoid on Guava; Toxicity; Medicine; R; Pharmacy and materia medica; RS1-441
• Source: Jurnal Farmasi Sains dan Praktis, Vol 8, Iss 2 (2022)

Important for an emergency is to find the most potential Hesperidin, Kaempferol-3,4'-di-O-methyl ether (Ermanin); Myricetin-3-glucoside, Peonidine 3-(4'-arabinosylglucoside); Quercetin 3-(2G-rhamnosylrutinoside); and Rhamnetin 3-mannosyl-(1-2)-alloside as a lead compound from guava to develop new drugs from flavonoid analogue. Docking method through iGEMDOCK software was used to design a new lead compound candidate from several flavonoid and study its interaction with of 3CLpro (PDB ID: 7DPU). The docking method were carried out using the iGEMDOCK software version v2.1, also in the chimera-1.13.1 program is used to know the interaction profile. Druglike properties were calculated using Lipinski's rule of five as calculated using SWISSADME prediction. Toxicity prediction herein used ADMETSAR webserver (http://lmmd.ecust.edu.cn:8000/predict/). Less toxic and showing greater affinity with a docking score stronger was found in Quercetin, is apart from good pharmacokinetic profile