An In-Silico Study on Allicin Compound in Garlic (Allium Sativum) as A Potential Inhibitor of Human Epidermal Growth Factor Receptor (Her)-2 Positive Breast Cancer

Savitri, Ardyarini Dyah and Hidayati, Hanik Badriyah and Veterini, Lysa and Widyaswari, Meidyta Sinantryana and Muhammad, Akbar Reza and Fairus, Ainiyah and Zulfikar, Mohammad Qoimam Bilqisthu and ASTRI, MEGA and RAMASIMA, NOSA ABDELLAH and ANGGRAENI, DINI PUTRI and Nainatika, Reghina S.A. and Juliana, Juliana (2023) An In-Silico Study on Allicin Compound in Garlic (Allium Sativum) as A Potential Inhibitor of Human Epidermal Growth Factor Receptor (Her)-2 Positive Breast Cancer. JJBS: Jordan Journal of Biological Sciences, 16 (1). pp. 7-12. ISSN 1995-6673

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Abstract

Allicin is the major sulfur-containing compounds in a single garlic (Allium Sativum) that play an important protective part in the oxidative processes. Because of its less toxicity and its potency in preventing and attenuating outcomes of several cancer types, it makes Allicin as a potential natural therapy for breast cancer. Moreover, because of the similar structure of N-Acetylcysteine (NAC) and Allicin, it predicts that Allicin may give the same therapeutic effects with NAC, which NAC is able to show the anti-tumor effect on Human Epidermal Growth Factor Receptor (HER-2) protein of breast cancer. Breast cancer as the most common cancer in women and the second-highest prevalence of cancer in the world, might provide benefits using Allicin in order to prevent cancer progression with a better safety profile. However, little study has been carried out on the functional role of Allicin in HER-2 positive breast cancer. In this study, we calculated and compared the binding energy, pharmacokinetic properties, and toxicity of Allicin and NAC with HER-2 receptor using in-silico study in order to evaluate the potency as HER-2 positive breast cancer alternative therapy. By using Molegro Virtual Docker, the affinity between Allicin and NAC to HER-2 receptor showed an equal result, -62,1239 kcal/mol for Allicin, and -65,8084 kcal/mol for NAC. Meanwhile, study on their pharmacokinetic properties and toxicity using pkCSM online tool showed that Allicin has a safer profile than NAC. Thus, it can be concluded that the Allicin compound has a relatively same anti-tumor potency in HER-2 positive breast cancer compared to NAC.

Item Type:	Article
Uncontrolled Keywords:	Allicin, in silico, HER-2 positive breast cancer
Subjects:	R Medicine > RC Internal medicine > RC266 Oncology nursing
Divisions:	Faculty of Medicine > Program Study of Medicine
Depositing User:	Mr. . Aji
Date Deposited:	08 Mar 2024 07:09
Last Modified:	08 Mar 2024 07:09
URI:	http://repository.unusa.ac.id/id/eprint/10739

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