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Soursop Phytocompounds as Potential Anticancer Agents: A Molecular Docking Study

Aparna B Murukan


Objective: According to tumor statistics, there will be a total of approximately 1,958,310 new malignancy cases, that balances to nearly 5,370 cases day by day. Without any questions its clearly evident that cancer is considered as one of the deadliest diseases of mankind. The course of this study emphasizes on computational approach for finding new drug for potential target proteins Bcl-2 (4MAN) and Mcl-1(5FDO) by docking against soursop (Annona Muricata Lin) phytocompound. Thereby elucidating its potential to act as inhibitor against antiapoptotic proteins. Methods: This study mainly focusing on computational approach for evaluating the inhibitory potential of phytocompound against target proteins. The molecular docking was conducted methodically using IMPAAT for retrieving phytocompounds and plant parts, PubChem for obtaining canonical smiles, PDB to get structure of protein, BIOVIA Discovery Studio in order for visualization, PDB sum for analysis of secondary structure, ADMETlab 2.0, SwissADME for checking ADMET properties of phytocompounds and PyRx software to conducting molecular docking. Results: The docking result made known that the particular phytocompound as ligand shows the best binding affinity with target proteins. The success of phytocompound by showing best binding affinity ensure its role as a lead compound for further studies. Conclusion: The potential of traditional medicines such as phytocompounds should be further studied in order to create drug which have limited side effects.


Soursop, Antiapoptotic protein, Annona muricata Lin, Bcl-2, Mcl-1, Molecular docking, ADMET.

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