Studi In Silico Potensi Piperine, Piperlongumine, dan Thymoquinone Sebagai Obat Alzheimer

Mutiara, Yanuar Metriks and Wahjudi, Mariana and Kok, Tjie (2022) Studi In Silico Potensi Piperine, Piperlongumine, dan Thymoquinone Sebagai Obat Alzheimer. Indonesian Journal of Biotechnology and Biodiversity (IJOBB), 6 (3). pp. 77-87. ISSN 2581-0014

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Abstract

Alzheimer's disease (AD) was suffered by 30-35 million patients worldwide and predicted to increase to 400% within 30 years in Indonesia. One of the accepted therapeutics for AD is galantamine, a short-acting acetylcholinesterase (AChe) inhibitor, isolated from Galanthus nivalis. Due to the need for new drugs with fewer side effects than synthetic drugs, herbal compounds have become widely accepted. The aim of the study is to determine the efficacy of piperine (PIP), piperlongumine (PL), and thymoquinone (TQ) from Piper retrofractum, Piper betle var. nigra, and Nigella sativa as drugs for AD. Structures of the compounds were obtained from PubChem, then Chimera built its 3D structures and Autodock, PyRx, and Biovia Discovery Studio Visualization were used for molecular docking. PASS way2drug was used to predict bioactivities, Swiss ADME and pkCSM were used to predict physicochemical and pharmacokinetic properties. Based on the predicted physicochemical and pharmacokinetic properties, the three compounds qualify as drugs. Molecular docking showed that all the three can interact with receptors. For interaction with AChe, PIP is the best, followed by PL and TQ. For interaction with butyrylcholinesterase (BChe), PL is the best, followed by PIP and TQ. Even though the TQ binding affinity was lower than the other two compounds, TQ was able to penetrate the blood brain barrier (BBB) easily and has potentially active biological activity (Pa value > 0.7) related to AD more than the other two compounds. Hence, TQ has higher potential to be further studied in vitro and in vivo for AD treatment.

Item Type:	Article
Uncontrolled Keywords:	alzheimer disease, piperine, piperlongumine, thymoquinone
Subjects:	T Technology > T Technology (General)
Divisions:	Faculty of Technobiology > Department of Biology
Depositing User:	Ester Sri W. 196039
Date Deposited:	05 Jan 2023 09:10
Last Modified:	16 Jan 2023 04:40
URI:	http://repository.ubaya.ac.id/id/eprint/43063

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