Natural compounds in prostate cancer therapy: In silico study

Abul Bashar Ripon Khalipha ^{1, 3 *}Abu Bakar Siqqique¹, Jewel Sheikh¹, Md. Abdul Kader Shakil², Shoaib Ahmed¹, Khadija Akter¹, Taslima Akter⁴

¹Department of Pharmacy, Life Science Faculty, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh.
²Department of Applied Chemistry and Chemical Engineering, Faculty of Engineering, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj-8100, Bangladesh.
³Evergreen Scientific Research Center, Gopalganj-8100, Bangladesh.
⁴Department of Pharmacy, Jahangirnagar University, Savar Dhaka.

Abstract

Among males all over the world, the most common non-cutanous cancer in man is prostate cancer. Although localized prostate cancer has a greater long-term survival probability, metastatic prostate cancer is almost always incurable, even after receiving intensive combination therapy. It has been demonstrated that prostate cells express the genes 1CDZ, 1XNA, and 1XNT, and that the proteins that are produced by these genes are responsible for base excision repair. In a similar manner, the 2D8M and 2W3O genes codify for the protein that is accountable for the repair of nucleotide excision. Furthermore, the 3K75 enzyme, which is encoded by the 3K75 gene, sustains the integrity of the genome. To identifying potentially effective inhibitors against prostate cancer, we have conducted an analysis of several natural substances that show promise. Techniques: Molecular docking techniques were utilized to test various compounds against proteins that were encoded by the 1CDZ, 2D8M, 2W3O, 1XNT, and 3K75 genes utilizing various chemicals. According to the findings, out of all the compounds that were utilized, five of them (Oleanolic Acid, Brusatol, Agroclavine, Genistein, and Asiaticoside) have demonstrated the highest binding affinity energy against the protein targets 1CDZ, 1XNA, 2D8M, 2W3O, and 3K75. Conclusion: Based on the findings of our in-silico research, we are able to confidently draw the conclusion that the chemicals described above exhibit superior anti-cancer efficacy against prostate cancer.

Keywords: Natural compounds; Prostate cancer; DNA damage; Base excision; Mutation; 1CDZ; 1XNA; 2D8M; 2W3O; 3K75.

List of abbreviation:

1CDZ: X-ray repair cross-complementing group1, 1XNA: X-ray repair cross-complementing group 3, 2D8M: Excision Repair Cross-Complementation Group 1, 2W3O: Excision Repair Cross Complementation Group 2, 1XNT: human oxoguanine glycosylase 1, BER: base excision repair, NER: nucleotide excision repair.