Portrait photo of Dr. Olanrewaju Ayodeji Durojaye wearing glasses and a black leather jacket, seated against a dark background

About me

Dr. Olanrewaju Ayodeji Durojaye is a computational drug discovery scientist whose work applies artificial intelligence and molecular modeling to cancer and infectious disease research. He has published extensively and received international recognition for his contributions to biomedical science.

Dr. Olanrewaju Ayodeji Durojaye is a computational drug discovery scientist with expertise in computer-aided and artificial intelligence-driven drug discovery. His research integrates molecular modeling, machine learning, structural biology, and bioinformatics to design and evaluate therapeutic agents for complex diseases, with particular emphasis on cancer, infectious diseases, and antimicrobial resistance.

Dr. Durojaye received his academic training in biochemistry and molecular biology, progressing from experimental life sciences into advanced computational and AI-enabled approaches for biomedical research. He earned his doctoral degree from the University of Science and Technology of China (USTC), where his research focused on structure-based discovery of chemical probes and molecular dynamics simulations. During his doctoral work, he contributed original discoveries to the field of cancer drug discovery, including the identification of novel small-molecule inhibitors targeting previously undruggable oncogenic mutations.

His research output includes multiple peer-reviewed publications in internationally recognized journals spanning drug discovery, molecular medicine, computational biology, and health informatics. In addition to his research activities, Dr. Durojaye actively contributes to the scientific community through peer review and editorial service for reputable international journals published by major academic publishers. He has been invited to serve as a reviewer and editorial contributor for journals across biomedical, computational, and materials science disciplines, demonstrating recognition of his expertise and judgment by independent editorial boards.

Dr. Durojaye is a member of several professional and scientific organizations, including internationally recognized societies and research networks, reflecting his engagement with the global scientific community. He is also committed to science communication and capacity building, having authored articles in major media outlets to promote evidence-based health research and the adoption of modern computational approaches in biomedical science.

Degrees:

2024
Doctorate
Medical and Health Sciences incl Neurosciences

Publications resulting from Research
Durojaye OA, Bellah SF, Uzoeto HO, Okoro NO, Cosmas S, Ajima JN, Arazu AV, Ezechukwu SP, Ezechukwu CS, Odiba AS. Harnessing AI-driven reverse docking in drug discovery: a comprehensive review of opportunities, challenges, and emerging trends. J Mol Model. 2025 Aug 25;31(9):256. doi: 10.1007/s00894-025-06480-y. PMID: 40853597.
Durojaye OA, Uzoeto HO, Okoro NO, Cosmas S, Fadahunsi AA, Bellah SF, Odiba AS, Nwanguma BC. Computational biology meets oncology: designing custom protein and peptide binders to outsmart cancer. Med Oncol. 2025 Jul 22;42(8):361. doi: 10.1007/s12032-025-02936-6. PMID: 40694144.
Bellah SF, Sonia FA, Ferdous MR, Durojaye OA, Islam MR. CCL18 and EGF May Serve as Potential Prognostic Biomarkers and Therapeutic Targets for Human Breast Cancer. Int J Breast Cancer. 2025 Jul 14;2025:8856457. doi: 10.1155/ijbc/8856457. PMID: 40692603; PMCID: PMC12279427.
Li T, Song X, Chen J, Li Y, Lin J, Li P, Yu S, Durojaye OA, Yang F, Liu X, Li J, Cheng S, Yao X, Ding X. Kupffer Cell-derived IL6 Promotes Hepatocellular Carcinoma Metastasis Via the JAK1-ACAP4 Pathway. Int J Biol Sci. 2025 Jan 1;21(1):285-305. doi: 10.7150/ijbs.97109. PMID: 39744421; PMCID: PMC11667824.
Zhang T, Liu S, Durojaye O, Xiong F, Fang Z, Ullah T, Fu C, Sun B, Jiang H, Xia P, Wang Z, Yao X, Liu X. Dynamic phosphorylation of FOXA1 by Aurora B guides post-mitotic gene reactivation. Cell Rep. 2024 Sep 24;43(9):114739. doi: 10.1016/j.celrep.2024.114739. Epub 2024 Sep 13. PMID: 39276350.
Durojaye OA, Yang F, Gao X, Aikhionbare F, Zhang L, Liu X, Yao X. Probing centromere-kinetochore core complex CENP-L/M assembly using cenpemlin. J Mol Cell Biol. 2025 May 2;16(10):mjae035. doi: 10.1093/jmcb/mjae035. PMID: 39243121; PMCID: PMC12046508.
Durojaye OA, Yekeen AA, Idris MO, Okoro NO, Odiba AS, Nwanguma BC. Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulations. Int J Biol Macromol. 2024 Jun;269(Pt 2):131840. doi: 10.1016/j.ijbiomac.2024.131840. Epub 2024 Apr 26. PMID: 38679255.
Yekeen AA, Durojaye OA, Idris MO, Muritala HF, Arise RO. CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses. Comput Struct Biotechnol J. 2023 Sep 28;21:4849-4858. doi: 10.1016/j.csbj.2023.09.024. PMID: 37854635; PMCID: PMC10579869.
Durojaye OA. Delineation of the CENP-LN sub-complex dissociation mechanism upon multisite phosphorylation during mitosis. J Biomol Struct Dyn. 2024 Oct;42(17):8983-9001. doi: 10.1080/07391102.2023.2249101. Epub 2023 Aug 22. PMID: 37605944.
Durojaye OA, Ejaz U, Uzoeto HO, Fadahunsi AA, Opabunmi AO, Ekpo DE, Sedzro DM, Idris MO. CSC01 shows promise as a potential inhibitor of the oncogenic G13D mutant of KRAS: an in silico approach. Amino Acids. 2023 Dec;55(12):1745-1764. doi: 10.1007/s00726-023-03304-2. Epub 2023 Jul 27. PMID: 37500789.