Abayomi Emmanuel Adegboyega
Computer Science · Purdue University West Lafayette
Publications
51
Citations
778
Est. group size
—
Recurring co-author estimate
Active years
7
Publishing since 2020
This researcher uses computer-based methods, especially molecular docking and simulation, to study how natural plant compounds might act as drugs against diseases such as malaria, cancer, diabetes, and snake venom poisoning. The work typically combines computational predictions with laboratory or literature-based evidence to identify promising plant-derived molecules and evaluate their potential as therapeutic candidates. This falls within the broader field of computer-aided drug design and computational chemistry applied to natural product research.
Publication output rose sharply starting in 2021 after minimal activity before 2020, peaked around 2021-2023, and has been gradually slowing through 2024-2026.
Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026
- Molecular docking and dynamics identify novel high-affinity plasmepsin II inhibitors from neem phytochemicals for antimalarial drug development
Discover Chemistry. · 2026
- Identification of possible antimalarial constituent(s) from the leaves of Ochna kibbiensis: A phytochemical, in vivo and in silico approaches
Phytomedicine Plus · 2025
- Computational evaluation of Khaya ivorensis against plasmodium falciparum aminopeptidase N (PfM1AP) enzyme: Molecular docking, simulation and ADMET studies
Results in Chemistry · 2025
- Rational Design and Optimization of Novel PDE5 Inhibitors for Targeted Colorectal Cancer Therapy: An In Silico Approach
International Journal of Molecular Sciences · 2025
- Molecular modeling of the interactions of compounds of Irvinga wombulu against dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum towards development of anti-malarial drug
In Silico Pharmacology · 2025
- Discovery of potential epidermal growth factor receptor inhibitors from black pepper for the treatment of lung cancer: an in-silico approach
In Silico Pharmacology · 2024
- Exploring the Antisnake Venom Potential of <i>Zingiber officinale</i> and its Bioactive Compounds Against <i>Naja nigricollis</i> Venom Through Computational Approaches and Experimental Validation
Chemistry & Biodiversity · 2024
- Abstract 1138 "MODULATORY EFFECT OF ANTIOXIDATIVE POTENTIALS OF N- HEXANE EXTRACT OF RICINODENDRON HEUDELOTII (BAIL.) PIERRE IN HYDROGEN PEROXIDE- STRESSED DROSOPHILA AND COMPUTATIONAL STUDIES OF ITS BIOACTIVE COMPOUNDS"
Journal of Biological Chemistry · 2024
- Identification of Possible Antimalarial Constituents from the Leaves of Ochna Kibbiensis Hutch. & Dalziel: A Phytochemical and in Silico Approach
SSRN Electronic Journal · 2024
- Deciphering the therapeutic actions of Brenania brieyi (Rubiaceae) fractions on oxidoinflammatory anomalies
International Journal of Secondary Metabolite · 2024
- Identification of Some Bioactive Compounds from Camellia sinensis as Possible Inhibitors of human epidermal growth factor receptor 2 (HER2): A Structure-Based Drug Design for Breast Cancer Treatment.
Nigerian Journal of Pharmacy · 2024
- Computer-aided drug design in anti-cancer drug discovery: What have we learnt and what is the way forward?
Informatics in Medicine Unlocked · 2023
- Modern drug discovery for inflammatory bowel disease: The role of computational methods
World Journal of Gastroenterology · 2023
- Exploring Scutellaria baicalensis bioactives as EGFR tyrosine kinase inhibitors: Cheminformatics and molecular docking studies
Informatics in Medicine Unlocked · 2023
- Computational assessment of chemicals from<i>Morinda citrifolia</i>as potential inhibitors of B-Raf kinase in hepatocellular carcinoma treatment
Journal of Biomolecular Structure and Dynamics · 2023
- Informatics in Medicine Unlocked×9
- Journal of Biomolecular Structure and Dynamics×6
- Research Square×5
- In Silico Pharmacology×3
- Bulletin of the National Research Centre/Bulletin of the National Research Center×2
- Gopichand Gutti
Computer Science · The Ohio State University
- Niyi Samuel Adelakun
Computer Science · The Ohio State University
- Prageeth R. Wijewardhane
Computer Science · Purdue University West Lafayette
- Subham Das
Chemistry · Purdue University West Lafayette
- Chien‐Wei Chiang
Computer Science · The Ohio State University
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 20, 2026.
Claim or correct this profile