Research Interests & Publications

Research Interests

  •   Protein Engineering and Design

  •   Directed Evolution

  •  Protein Crystallography

  •   Drug Discovery

  •  Molecular Dynamics Simulation

  •   Bioactive Peptides

  •  Machine Learning


* corresponding author(s)
# co-first authors

  1. Durojaye OA#, Yekeen AA#, Idris MO, Okoro NO, Odiba AS, & Nwanguma BC. (2024). Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulations, International Journal of Biological Macromolecules. [Link] [PDF]

  2. Yekeen AA*, Durojaye OA, Idris MO, Muritala HF, & Arise RO*. (2023). CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses, Computational and Structural Biotechnology Journal 21: 4849-4858. [Link] [Link] [PDF]

  3. Yekeen AA*, Durojaye OA, Idris MO, Muritala HF, & Arise RO*. (2023). CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses, bioRxiv 2023.2007.2001.546945. [Link (Preprint)] [PDF(Preprint)]

  4. Yekeen AA, Zhang L, Liu H*, & Chen Q*. (2023). Simultaneous positive and negative selection of proteases in bacterium based on cell suicide and antibiotic resistance, Biotechnology Journal 18(6), 2200488. [Link] [PDF]

  5. Sedzro DM, Idris MO*, Durojaye OA*, Yekeen AA*, Fadahunsi AA, & Alakanse OS. (2022). Identifying potential p53-MDM2 interaction antagonists: An integrated approach of pharmacophore-based virtual screening, interaction fingerprinting, MD simulation and DFT studies, ChemistrySelect 7(39), e202202380. [Link] [PDF]

  6. Durojaye OA*, Sedzro DM, Idris MO*, Yekeen AA*, Fadahunsi AA, & Alakanse OS. (2022). Identification of a potential mRNA-based vaccine candidate against the SARS-CoV-2 Spike glycoprotein: A reverse vaccinology approach, ChemistrySelect 7(7), e202103903. [Link] [PDF]

  7. Idris MO, Yekeen AA*, Alakanse OS, & Durojaye OA*. (2021). Computer-aided screening for potential TMPRSS2 inhibitors: A combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approaches, Journal of Biomolecular Structure and Dynamics 39(15): 5638–5656. [Link] [PDF]

  8. Arise RO, Acho MA, Yekeen AA, Omokanye IA, Sunday-Nwaso EO, Akiode OS, & Malomo SO. (2019). Kinetics of angiotensin-1 converting enzyme inhibition and antioxidative properties of Azadirachta indica seed protein hydrolysates, Heliyon, 5(5): e01747. [Link] [PDF]

  9. Nafiu MO, Okunlade AF, Yekeen AA, & Salawu MO. (2018). Polyphenolic extract of Paullinia pinnata leaf exhibits antidiabetic, anthyperlipidaemic and antioxidant activities in alloxan-induced diabetic rats. Investigational Medicinal Chemistry & Pharmacology, 1(1): 5. [Link] [PDF]

  10. Arise RO, Yekeen AA, Ekun OE, & Olatomiwa OJ. (2016). Protein hydrolysates from Citrullus lanatus seed: Antiradical and hydrogen peroxide-scavenging properties and Kinetics of angiotensin-I converting enzyme inhibition. Ceylon Journal of Science, 45(2): 39–52. [Link][PDF]

  11. Arise RO, Yekeen AA, & Ekun OE. (2016). In vitro antioxidant and α-amylase inhibitory properties of watermelon seed protein hydrolysates. Environmental and Experimental Biology 14: 163–172. [Link][PDF]

  12. Arise RO, Osundahunsi BO, Farohunbi ST, & Yekeen AA. (2016). Catalytic and kinetic properties of purified Eichhornia crassipes leaf peroxidase. Environmental and Experimental Biology, 14(2): 83–90. [Link][PDF]

  13. Arise RO, Akapa T, Adigun MA, Yekeen AA, & Oguntibeju OO. (2016). Normoglycaemic, normolipidaemic and antioxidant effects of ethanolic extract of Acacia ataxacantha root in streptozotocin-induced diabetic rats. Notulae Scientia Biologicae 8(2): 144–150. [Link][PDF]

  14. Arise RO, Tella AC, Iyiola OA, Ayeni OM, Farohunbi ST, & Yekeen AA. (2016). Solvent-less synthesis, antimalarial and toxicity evaluation of lumefantrine-copper complex in Swiss mice. Notulae Scientia Biologicae 8(3): 292–300. [Link][PDF]