In Silico Study Of The Potential Of Garlic Allicin Compound As Anti-Angiogenesis In Breast Cancer

Veterini, Lysa and Savitri, Ardyarini Dyah 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. (2021) In Silico Study Of The Potential Of Garlic Allicin Compound As Anti-Angiogenesis In Breast Cancer. Tropical Journal of Natural Product Research, 5 (11). pp. 1995-1996. ISSN 2616-0692

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Abstract

The angiogenesis process in breast cancer has an important role in the development of tumors, metastases, and is also associated with a decrease in breast cancer patients’ survival. Vascular endothelial growth factor receptor 2 (VEGFR-2) plays a major role in the angiogenesis process. VEGFR-2 inhibition is expected to ably inhibit breast cancer cells growth, especially triplenegative breast cancer. Allicin from single garlic has an antioxidant and anticarcinogenic effect similar to N-Acetyl Cysteine (NAC). This study aims to evaluate Allicin compound from single garlic as an angiogenic potential inhibitor of VEGFR-2 breast cancer through an in silico study. The study used ChemDraw Professional 16.0 program, Chem 3D 16.0, and Molegro Virtual Docker-5. VEGFR-2 receptor used in this study was with PDB code: 4ASD, which had a native ligand Sorafenib (BAX_1500). Data analysis were performed by comparing the binding energy of the VEGFR-2 receptor with Allicin and NAC ligands as Rerank Score. Absorption, Distribution, Metabolism, and Excretion (ADME) and toxicity of compounds were tested using pkCSM online tool program. The results of re-docking process showed that the Root Mean Square Deviation (RMSD) was less than 2 (0.868). The in silico test showed that Allicin had lower anti-angiogenesis potential than NAC (Bond energy: Sorafenib: -155.145 Kcal/mol, Allicin: -54.2265 Kcal/mol, and NAC: -57.5174 Kcal/mol). However, the safety profile test using pkCSM online tool showed that Allicin had a better profile than NAC, both in pharmacokinetics and toxicity. In conclusion, the Allicin compound from single garlic is an angiogenic potential inhibitor of VEGFR-2 breast cancer through an in-silico study.

Item Type:	Article
Uncontrolled Keywords:	Allicin, In silico, Anti-angiogenesis, 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:	24 Mar 2022 02:51
Last Modified:	08 Mar 2024 07:25
URI:	http://repository.unusa.ac.id/id/eprint/8599

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