PENGUJIAN IN SILICO AKTIVITAS ANTIVIRUS PIGMEN MONASCUS SP. PADA SARS-COV-2

• Main Author: Hanin Agrita, Salsabila
• Format: Final Project
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/61831
• Institution: Institut Teknologi Bandung

SARS-CoV-2 is a pathogenic +ssRNA virus infecting mainly the human respiratory system. SARS- CoV-2 infection manifests in mild to severe acute respiratory syndrome. Research regarding potential antivirus are needed to develop new drugs against SARS-CoV-2. Secondary metabolites from fungi has been proven to help discover new therapeutics. Fungi Monascus sp. is one of the fungi with many therapeutics effect. This research aims to study the potential of Monascus sp. pigments for antiviral development against SARS-CoV-2 through in silico testing. The viral protein targeted in this study are the main protease of SARS-CoV-2 (PBD ID: 6LU7) and RNA-dependent RNA Polimerase (Rdrp) of SARS-CoV-2 (PDB ID: 7BV2). Before docking, sixty-five pigments from various Monascus species were subjected to the drug-likeness and safety screening, to obtain physicochemical, absorption and distribution profile, prediction of mutagenicity, carcinogenicity and toxicity related to reproductive system. 12 Monascus pigment with sufficient drug-likeness and safety profile; monasfluor A, monasfluor B, monapuron A, monapuron C, monascopyridine A, monascopyridine B, monascopyridine C, monascopyridine D, monasfluol A, red shandong 1, red shandong 2 and unnamed red pigment (C21H29O5) were tested to study their inhibition against SARS-CoV-2 proteins using Autodock 4.2.6. The result showed that when compared to antiviral drugs, seven Monascus pigments; including monasfluor A, monasfluor B, monapuron A, monapuron C, monascopyridine B, monascopyridine D dan red shandong 2 shown lower binding energy to RNA-dependent RNA polimerase of SARS-CoV-2 when compared to antivirus remdesivir and favipiravir. The inhibitory activity of the seven Monascus pigments needs to be further validated by in vitro and in vivo testing.