E-ISSN 0976-2833 | ISSN 0975-3583
 

Research Article 


Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan.

Abstract
Breast cancer is one of the most frequent female cancer. The currently available therapeutics are induces cancer cell
death and also developing side effects in healthy cells. To overcome the chemotherapeutic challenges, plant-based
phytochemicals and nutraceuticals are consist efficient anticancer activity. Naringin is one of the plant derived
flavonoids, naturally present in citrus fruits with anticancer activity. In this present study, we analyze the frontier
molecular orbital (HOMO-LUMO) for chemical potential and stability of molecules and also the molecular docking
studies of naringin to find the binding efficiency of ligand and breast cancer marker proteins. The 3D structure of
proteins is retrieved from the RCSB protein data bank and the tool autodock vina helps in molecular docking
studies. Among the seven target proteins, PR have efficient binding energy (-9.3 Kcal/mol), which confirms the
potential to target breast cancer.

Key words: Breast cancer, Naringin, HOMO-LUMO, Molecular docking


 
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Pubmed Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. J Cardiovasc. Dis. Res.. 2021; 12(5): 1140-1148. doi:10.31838/jcdr.2021.12.05.147


Web Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. http://www.jcdronline.org/?mno=125136 [Access: September 16, 2021]. doi:10.31838/jcdr.2021.12.05.147


AMA (American Medical Association) Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. J Cardiovasc. Dis. Res.. 2021; 12(5): 1140-1148. doi:10.31838/jcdr.2021.12.05.147



Vancouver/ICMJE Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. J Cardiovasc. Dis. Res.. (2021), [cited September 16, 2021]; 12(5): 1140-1148. doi:10.31838/jcdr.2021.12.05.147



Harvard Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan (2021) Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. J Cardiovasc. Dis. Res., 12 (5), 1140-1148. doi:10.31838/jcdr.2021.12.05.147



Turabian Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. 2021. Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. Journal of Cardiovascular Disease Research, 12 (5), 1140-1148. doi:10.31838/jcdr.2021.12.05.147



Chicago Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. "Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug." Journal of Cardiovascular Disease Research 12 (2021), 1140-1148. doi:10.31838/jcdr.2021.12.05.147



MLA (The Modern Language Association) Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan. "Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug." Journal of Cardiovascular Disease Research 12.5 (2021), 1140-1148. Print. doi:10.31838/jcdr.2021.12.05.147



APA (American Psychological Association) Style

Azar Zochedh A S, Asath Bahadur S, Thandavarayan Kathiresan (2021) Quantum chemical and Molecular docking studies of Naringin: A potent anti-cancer drug. Journal of Cardiovascular Disease Research, 12 (5), 1140-1148. doi:10.31838/jcdr.2021.12.05.147





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