In-Silico Analysis and Molecular Docking of Phytochemicals Targeting Genes as Therapeutic Sites for Prostate Cancer

Gayatree Pradhan; Debasmita Roy; Dharitri Priyadarsini; Rajat Kumar Nayak

doi:10.36948/ijfmr.2025.v07i02.42185

In-Silico Analysis and Molecular Docking of Phytochemicals Targeting Genes as Therapeutic Sites for Prostate Cancer

Author(s)	Gayatree Pradhan, Debasmita Roy, Dharitri Priyadarsini, Rajat Kumar Nayak
Country	India
Abstract	Prostate carcinoma is known to be a hypoxic and lipogenic solid tumor, exhibiting a remarkable oncogenic modulated metabolic programming. Increasing intake of glucose and aerobic glycolysis, called the Warburg effect, are main metabolic changes in hypoxic tumors. Protein, nucleic acid, and lipid biosynthesis are the other metabolic processes associated with cancer metabolic rewiring. Research on new treatments and prevention strategies for prostate cancer has increased due to the disease's rising occurrence globally. Broccoli and other plants of the Brassica genus contain sulforaphane, a phytochemical with anticancer qualities. Several investigations have demonstrated that sulforaphane stops prostate cancers from growing and spreading. This study assesses the most current research on sulforaphane's ability to stop prostate cancer from progressing in vitro, in vivo, and in clinical settings along with Genistein and Silibinin. The suggested methods of action of sulforaphane on prostatic cells are described in depth. We also go over the difficulties, restrictions, and potential applications of sulforaphane as a therapeutic agent in the management of prostate cancer. Molecular docking was held between the compounds and the genes associated with prostate cancer: PDGFRA, PDGFRB, GSTP1, GPX2, GPX3 and MGST2. Using several techniques, this brief in silico analysis revealed notable diversity in the prediction of SFN's physicochemical and pharmacokinetic properties as well as its toxicological potential. Even though SFN showed a strong potential to prevent metastases in several tumor models, further extensive in silico and toxicity studies are required to fully investigate its toxicological profile.
Keywords	Sulforaphane, Genistein, Silibinin, Prostate, Drug likeness, Phytochemicals, PDGFRA, PDGFRB, GSTP1, GPX2, GPX3 and MGST2
Field	Biology > Bio + Chemistry
Published In	Volume 7, Issue 2, March-April 2025
Published On	2025-04-26
DOI	https://doi.org/10.36948/ijfmr.2025.v07i02.42185
Short DOI	https://doi.org/g9gvc5

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In-Silico Analysis and Molecular Docking of Phytochemicals Targeting Genes as Therapeutic Sites for Prostate Cancer

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