About

Daniel's research centres on drug discovery, utilizing computer-aided drug design (CADD) focusing on virtual high-throughput screening, molecular dynamics, molecular modeling, and Density Functional Theory (DFT).

Education

Ph.D.: Chemistry; University of Auckland 

M. Phil./MSc: Chemistry; University of Ghana

B.Sc.: Chemistry; University of Ghana

Research Interest

• Identifying lead compounds through virtual high-throughput screening.
• Investigating the mechanisms of action of compounds against proteins using docking and molecular dynamics.
• Developing pharmacokinetic models.
• Exploring the structure and reactivity of compounds using DFT and ab initio calculations.
• Creating predictive tools for drug discovery applications.

Publications

• Kelly G.; Kataura T.; Panek J.; Ma G.; Salmonowicz H.;   Davis A.; Kendall H.; Brookes C.; Ayine-Tora D. M.; Banks P.; Nelson G.; Dobby L.; Pitrez P. R.; Booth L.; Costello L.; Richardson G. D.; Lovat P.; Przyborski S.; Ferreira L.; Greaves L.; Szczepanowska K.; Zglinicki Thomas von, Miwa S,; Brown M.; Flagler M.; Oblong J. E.; Bascom C. C.; Carroll B.; Reynisson J.; Korolchuk V. I . Suppressed basal mitophagy drives cellular aging phenotypes that can be reversed by a p62-targeting small molecule.  Developmental Cell. 2024, https://doi.org/10.1016/j.devcel.2024.04.020.
• Kowalczyk K; Błauż A; Ayine-Tora D.M; Hartinger C; Rychlik B; Plażuk D. Design, Synthesis and Evaluation of Biological Activity of Ferrocene-Ispinesib Hybrids–Impact of a Ferrocenyl Group on the Antiproliferative and KSP Inhibitory Activity. Chem. Eur. J. 2023, https://doi.org/10.1002/chem.202300813

• Leung E; Ayine-Tora D.M; Santos-Ledo Adrian; Korolchuk V.I; Reynisson J. Identification of novel Atg3-Atg8 inhibitors using virtual screening for autophagy Modulation. Bioorg. Chem. 2021,114, 105092. 

  https://doi.org/10.1016/j.bioorg.2021.105092

• Huang, R.; Ayine-Tora, D. M.; Rosdi, M. N. M.; Li, Y.; Reynisson, J.; Leung, I. K. Virtual Screening and Biophysical Studies Lead to HSP90 Inhibitors. Bioorg. Med.Chem. Lett. 2017, 27, (2), 277-281. DOI: 10.1016/j.bmcl.2016.11.059
• Ayine-Tora, D. M.; Kingsford-Adaboh, R.; Asomaning, W. A.; Harrison, J. J.; Mills-Robertson, F. C.; Bukari, Y.; Sakyi, P. O.; Kaminta, S.; Reynisson J. Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action. Molecules 2016,21, (10), 1369. https://doi.org/10.3390/molecules21101369