Faculty of Science, Engineering and Agriculture

Neani Tshilande

Part-Time Lecturer, Department of Chemistry (UNIVEN) · Department of Chemistry

Academic Profile

Neani Tshilande

Neani Tshilande
Department of Chemistry

Neani Tshilande

Part-Time Lecturer, Department of Chemistry (UNIVEN)

Highest qualificationPhD Chemistry (University of Venda)
SpecialisationComputational chemistry and molecular modelling of biologically active molecules and energy materials
Research

Research Interests

Computational study of acylphloroglucinols (ACPLs) with antimalarial and anticancer activities, including conformational preferences, intramolecular hydrogen bonds, solvent effects, molecular descriptors and first-approximation docking. Computational studies of energy materials, including electronic structure, stability and interface behaviour of materials relevant to energy conversion.

Current Work

Current & Recent Projects

  • Computational analysis of molecules of interest (antimalarial and anticancer), including first-approximation docking against relevant protein targets
  • DFT studies of self-assembled monolayers (SAMs) for interface engineering and stability in perovskite solar cells
Teaching

Teaching Areas

  • Part-time lecturing in the Department of Chemistry: General Chemistry for Applied Science (CHE 115); Environmental Chemistry (CHE 2229, second year); and Process Technology (CHE 3226, third year).
Research Profiles

Professional Profiles

Professional

Membership & Supervision

  • N/A
Scholarship

Recent Articles

  1. Tshilande, N., & Mammino, L. (2025). Computable properties of selected monomeric acylphloroglucinols with anticancer and/or antimalarial activities and first-approximation docking study. Journal of Molecular Modeling, 31(4), 113.
  2. Tshilande, N., Mammino, L., & Bilonda, M. K. (2024). The study of molecules and processes in solution: an overview of questions, approaches and applications. Computation, 12(4), 78.
  3. Tshilande, N., & Mammino, L. (2024). Acylphloroglucinols with anticancer and/or antimalarial activities—An overview. Studies in Natural Products Chemistry, 81, 39-77.
  4. Tshilande, N., & Mammino, L. (2023). Comparison of the Molecular Properties of Euglobals Differing by the Mutual Positions of the Two R–C= O Groups (R= H and CH2CH (CH3) 2): A Computational Study. Chemistry, 5(4), 2120-2154.