E-ISSN 0976-2833 | ISSN 0975-3583
 

Research Article 


In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan.

Abstract
Breast cancer holds for the maximum mortality rate in women. Though the current treatment and
chemotherapies are killing cancer cells and also causing severe side effects in normal cells. Overcome the
current chemotherapeutic challenges, plants derived nutraceuticals contain strong anticancer activity and less
toxicity. Gallic acid and lycopene were one of the chemopreventive compounds with anticancer activity in
breast cancer cells. This study analyzes the molecular docking of lycopene and gallic acid complex with breast
cancer target protein and finds their binding score. The three-dimensional structure of proteins is retrieved from
protein data bank and construction of complex structure with the use of molecular modeling ChemSketch. The
molecular docking studies were done with the help of Autodock vina. The target protein PARP shown higher
binding energy (-7.4 Kcal/mol) and the least binding energy found in BRCA1 (-4.1 Kcal/mol). Alone and in a
combination of lycopene with gallic acid complex are potential to target breast cancer proteins through
molecular docking approach. Molecular docking studied shows the PARP was maximum binding energy for the
combination of lycopene and gallic acid complex.

Key words: Breast cancer, Lycopene, Gallic acid, ChemSketch, Molecular docking


 
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Pubmed Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. J Cardiovasc. Dis. Res.. 2021; 12(5): 503-509. doi: 10.31838/jcdr.2021.12.05.67


Web Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. http://www.jcdronline.org/?mno=113960 [Access: August 22, 2021]. doi: 10.31838/jcdr.2021.12.05.67


AMA (American Medical Association) Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. J Cardiovasc. Dis. Res.. 2021; 12(5): 503-509. doi: 10.31838/jcdr.2021.12.05.67



Vancouver/ICMJE Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. J Cardiovasc. Dis. Res.. (2021), [cited August 22, 2021]; 12(5): 503-509. doi: 10.31838/jcdr.2021.12.05.67



Harvard Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan (2021) In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. J Cardiovasc. Dis. Res., 12 (5), 503-509. doi: 10.31838/jcdr.2021.12.05.67



Turabian Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. 2021. In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. Journal of Cardiovascular Disease Research, 12 (5), 503-509. doi: 10.31838/jcdr.2021.12.05.67



Chicago Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. "In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid." Journal of Cardiovascular Disease Research 12 (2021), 503-509. doi: 10.31838/jcdr.2021.12.05.67



MLA (The Modern Language Association) Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan. "In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid." Journal of Cardiovascular Disease Research 12.5 (2021), 503-509. Print. doi: 10.31838/jcdr.2021.12.05.67



APA (American Psychological Association) Style

T. Mohan Viswanathan, Rajan Pradeepa, Ravi Lavanya, Palaniyappan Abinaya, Krishnan Sundar, Thandavarayan Kathiresan (2021) In Silico And Molecular Docking Prediction Studies Elucidate Anti-Breast Cancer Activity Of Lycopene And Gallic Acid. Journal of Cardiovascular Disease Research, 12 (5), 503-509. doi: 10.31838/jcdr.2021.12.05.67





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