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Computational Approach Towards Exploring Interaction of Target Protein-Phytocompounds in Drug Development for Breast Cancer

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Anticancer Plants: Mechanisms and Molecular Interactions

Abstract

Breast cancer is one of the leading cause of cancer related deaths in women, worldwide. In Malaysia, it is the most common cancer, where 1 in 19 Malaysian women are diagnosed with breast cancer. The incidence rate is increasing because of the lack of specific symptoms in the early stage of disease leading to delay in diagnosis. Unfortunately, recently used treatments such as chemotherapeutic, surgery and radiation therapies have not been fully effective against breast cancer. Therefore, there is a need of developing new approaches for the treatment of breast cancer. In this regards, plant derived compounds have been identified as a class of promising anticancer agents in the quest for novel pharmaceutical compounds to built the new target protein, their simulation and interaction with phytocompounds. The molecular docking method has been explored for its binding affinity towards the site of interactions. The best binding affinity is chosen based on the lowest binding energy, total intermolecular energy and highest number of hydrogen bonds to target the phytocompounds. Thus, the aim of this chapter is to focus on the potentiality of the phytocompound based drug discovery for the treatment of breast cancer.

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Correspondence to Asita Elengoe .

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Elengoe, A., Hamdan, S. (2018). Computational Approach Towards Exploring Interaction of Target Protein-Phytocompounds in Drug Development for Breast Cancer. In: Akhtar, M., Swamy, M. (eds) Anticancer Plants: Mechanisms and Molecular Interactions. Springer, Singapore. https://doi.org/10.1007/978-981-10-8417-1_5

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