Molecular Docking Analysis: Interaction Studies of Natural Compounds to Anti-inflammatory Targets

Herowati, Rina and Widodo, Gunawan Pamuji (2017) Molecular Docking Analysis: Interaction Studies of Natural Compounds to Anti-inflammatory Targets. In: Quantitative Structure-activity Relationship. InTech Publisher, pp. 63-78. ISBN 978-953-51-3410-7

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Abstract

A variety of compounds from medicinal plants have been reported to possess anti-inflammatory properties. Selected natural compounds that exhibit anti-inflammatory properties were subjected to docking simulation using AutoDock Vina to investigate their interaction modes to the potential macromolecular targets. The docking was performed using different molecular targets, i.e., cyclooxygenase-2, phospholipase A2, NF-κB inhibitor, and interleukin-1 receptor. It revealed that flavonoids have the highest affinity to the macromolecular targets (the lowest binding energy values) and the highest consistency of interaction model. Some terpenoids were identified to have potential inhibitor of phospholipase A2.

Item Type:	Book Section
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S2 Farmasi
Depositing User:	rina herowati
Date Deposited:	03 Jul 2023 04:31
Last Modified:	03 Jul 2023 04:31
URI:	http://repo.setiabudi.ac.id/id/eprint/5914

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