Interaction of cynaroside from orthosiphon aristatus plant extract on TNF alpha as a stimulant in malaria and asthma

Zainul, Rahadian ORCID: https://orcid.org/0000-0002-3740-3597, Verawati, Rismi, Alam, Gemini, Nisyak, Khoirun, Sari, Trisna Kumala, Ghifari, Muhammad Arya, Ruga, Ritbey, Azhari, Putri, Romadhon, Romadhon, Barroroh, Himmatul ORCID: https://orcid.org/0000-0003-2050-0195, Mandeli, Riso Sari, Purnamasari, Devi, Kharisma, Viol Dhea ORCID: https://orcid.org/0000-0001-9060-0429, Jakhmola, Vikash, Rebezov, Maksim and Ansori, ANM (2023) Interaction of cynaroside from orthosiphon aristatus plant extract on TNF alpha as a stimulant in malaria and asthma. Pharmacognosy Journal, 15 (4). pp. 581-586. ISSN 0975-3575

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Abstract

This research aims to investigate the interaction between cynaroside, a natural compound found in Orthosiphon aristatus plant extract, with TNF Alpha as a stimulant in the context of malaria and asthma. The research method involved an in-silico approach using software such as Pymol, PyRx, Protein Plus, and the Lepinski Rule. The results of the study showed that cynaroside has a significant interaction with TNF Alpha, as indicated by high Binding Affinity values of -9.6, -9.3, and -9.2. Analysis using Protein Plus confirmed the interaction between cynaroside and TNF Alpha. Additionally, evaluation using the Lepinski Rule of Five revealed that cynaroside has physicochemical characteristics suitable as a potential drug compound, with a mass of 448, hydrogen bond donors of 7, hydrogen bond acceptors of 11, log p -0.401, and molar reactivity of 105.2. These findings provide a deeper understanding of the potential of cynaroside in regulating the immune response to malaria and asthma through its interaction with TNF Alpha. These results can serve as an important basis for further research in the development of more targeted and effective therapies for both of these diseases

Item Type:	Journal Article
Keywords:	Asthma., Cynaroside, Malaria, Molecular docking, Orthosiphon aristatus, TNF Alpha
Subjects:	03 CHEMICAL SCIENCES > 0304 Medicinal and Biomolecular Chemistry > 030402 Biomolecular Modelling and Design
Divisions:	Faculty of Mathematics and Sciences > Department of Chemistry
Depositing User:	Himmatul Barroroh
Date Deposited:	30 Dec 2024 10:44

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