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NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING EKSTRAK KULIT JERUK MANIS (CITRUS SINENSIS) SEBAGAI KANDIDAT SENYAWA ANTIVIRAL TERHADAP VIRUS HERPES SIMPLEX TIPE-I

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Penilaian

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Herpes Simplex Virus Type-1 (HSV-1) is a common virus responsible for skin and genital infections. This research employs an in silico approach to predict the target mechanisms of sweet orange (Citrus sinensis) peel extract against HSV-1. The investigated peel extract is known for its antiviral properties aimed at preventing HSV-1 infection through molecular interactions. SwissTargetPrediction and GeneCards databases identify active compounds in sweet orange peel, predicting their targets in various diseases. The STRING and STITCH databases are utilized to analyze interactions between proteins and compound-protein relationships. A network depicting two-dimensional topology maps in each node and analyzing the pharmacological basis of compounds with their associated proteins is constructed using the Cytoscape database. This network reveals five compounds and 20 targets, with genistein, naringin, and palmitate identified as the most potent compounds in sweet orange peel against HSV-1's antiviral properties. Key protein targets for HSV-1 antivirus activity include AKT1, BCL2, TNF, and STAT3. Physicochemical property predictions through the SwissADME database, using Acyclovir as a reference compound, demonstrate that the test compounds adhere to Lipinski's rules and have potential for oral drug development. Molecular interaction analysis of genistein, naringin, and palmitate with AKT1, BCL2, TNF, and STAT3 receptors indicates biological activity comparable to the reference compound Acyclovir. Molecular docking reveals a strong interaction between naringin and AKT1, with a binding affinity of -9.166 kcal/mol. Naringin in sweet orange peel interacts with receptors at the active site with superior affinity compared to the reference compound.

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Availability

Inventory Code	Barcode	Call Number	Location	Status
2407000850	T138920	T1389202024	Central Library (References)	Available but not for loan - Not for Loan

Detail Information

Series Title

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Call Number

T1389202024

Publisher

Inderalaya : Prodi Ilmu Farmasi, Fakultas Matematika dan Ilmu Pengetahuan Alam., 2024

Collation

xvii, 124 hlm.; ilus.; 29 cm.

Language

Indonesia

ISBN/ISSN

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Classification

582.120 7

Content Type

Text

Media Type

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Carrier Type

-

Edition

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Subject(s)

Prodi Ilmu Farmas
Ekstrak Kulit Jeruk Nipis

Specific Detail Info

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Statement of Responsibility

MI

Other version/related

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