STUDI IN SILICO POTENSI SENYAWA PADA DAUN SIRIH (Piper betle L.) SEBAGAI AGEN ANTIHIPERLIPIDEMIA DENGAN PENDEKATAN NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING

SITORUS, MERRY YOLANDA SERAFIN SITORUS and Syarif, Nirwan and Shiyan, Shaum (2024) STUDI IN SILICO POTENSI SENYAWA PADA DAUN SIRIH (Piper betle L.) SEBAGAI AGEN ANTIHIPERLIPIDEMIA DENGAN PENDEKATAN NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING. Undergraduate thesis, Sriwijaya University.

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Abstract

Hyperlipidemia is characterized by increased normal levels of plasma lipids such as cholesterol, triglycerides, cholesterol esters, phospholipids, and sometimes plasma lipoproteins, including very low-density lipoproteins (VLDL) and low-density lipoproteins (LDL), along with decreased high-density lipoproteins (HDL). This study used an in silico approach to predict the molecular potential of betel leaf (Piper betle L.) target compounds for antihyperlipidemia activity. Potential compounds of betel leaf include 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl, 13-hexyl-oxa-cyclotridec-10-en-2-one, Cyclopropaneoctanoic acid, 9,11-Octadecadienoic acid, methyl ester, Linoleic acid chloride, (Z)6, (Z)9-Pentadecadien-1-ol, and ethanol, 2-(9,12-octadecadienyloxy). SwissADME and pkCSM evaluate and optimize the ADME/Tox profile of compounds and rely on experimental data. The Swiss ADME database predicts drug similarities of all active compounds of leaves that meet the Lipinski rules. STRING and Cytoscape will build and analyze complex relationships between compounds, targets, and pathways. The Cytoscape database with the Cluego plug-in analyzed GO and KEGG enrichment to obtain six hub genes associated with hyperlipidemia. Validation is considered valid if the RMSD value is less than 2 Å, the binding affinity value is low, it is in the same binding pocket, and it has the same amino acid residues as the original ligand. Visualization of the unity of docking results shows the docking result of 13-hexyl-oxa-cyclotridec-10-en-2-one with the 6WZM receptor has the lowest binding affinity value of -4.9 kcal/mol, is in the same binding pocket, and has the same amino acid residues as the original ligand.

Item Type:	Thesis (Undergraduate)
Uncontrolled Keywords:	DAUN SIRIH , MOLECULAR DOCKING
Subjects:	R Medicine > RM Therapeutics. Pharmacology > RM300-666 Drugs and their actions R Medicine > RS Pharmacy and materia medica > RS192-199 Pharmaceutical technology R Medicine > RS Pharmacy and materia medica > RS400-431 Pharmaceutical chemistry
Divisions:	08-Faculty of Mathematics and Natural Science > 48201-Pharmacy (S1)
Depositing User:	Merry Yolanda Serafin Sitorus
Date Deposited:	22 Jan 2024 01:44
Last Modified:	22 Jan 2024 01:44
URI:	http://repository.unsri.ac.id/id/eprint/139121

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