In-silico Screening of Anticancer Potential of Pongamia pinnata and Rubia cordifolia Phytoconstituents: A Molecular Docking Approach
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Abstract
Pongamia pinnata Linn belongs to Fabaceae and Rubia cordifolia belongs to Rubiaceae families, holds a significant place in herbal medicine. The present study aims to determine the anticancer properties of the R. cordifolia and P. pinnata. Both plants are rich in active constituents, responsible for the treatment of various diseases. Since in-silico methods are promising and useful for drug design through natural plants, the present research includes the in-silico evaluation to elucidate the anticancer potential of P. pinnata and R. cordifolia against ERα (PDB ID: 1R5K) and BRCA1 (PDB ID: 1JNX), targets associated with breast cancer. Docking results showed strong binding affinities between active constituents of R. cordifolia and P. pinnata with BRCA1, ranging from (-6.2 to -6.8 kcal/mol), and with another target Erαconstituents of R. cordifolia exhibited strong interactions, ranging from (-5.4 to -8.8 kcal/mol), while P. pinnata constituent from (-6.2 to -8.1 kcal/mol). Both the plants displayed the highest binding affinities with stable hydrogen bonds. These findings suggest a promising potential of R. cordifolia and P. Pinnata against breast cancer.
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