School of Chemistry & Physics

Dr Parvesh Singh

Associate Professor

Dr Singh is working on several multi-disciplinary research projects at UKZN that involves the synthesis, biological testing against diabetes, cancer and bacterial infections and molecular modelling studies. He was a recipient of prestigious DST-NRF Free-standing Post-doctoral fellowship and featured as one of the emerging researchers in South Africa by the NRF. He has also been recipient of top university and College publisher award on several occasions. For his contributions in science, the NRF has rated him an established researcher with the C2 rating in 2019. Since his appointment at UKZN (2014), he has successfully graduated 6 PhDs and 5 Master students. He also has published around 100 publications in peer-reviewed journals of international repute.

Research interests

  • Synthetic methodology
  • Computational Chemistry and Molecular modelling
  • Pharmacophore design
  • Medicinal Chemistry
  • Ligand-Protein interactions
  • Peptide folding, Docking

Research profiles

Research overview

Dr Singh’s group is working on several multi-disciplinary research projects involving the synthesis, molecular modelling and biological evaluation of heterocyclic scaffolds. Predominantly, we are using[2+2], [3+2] and [4+2] cycloaddition modes to synthesize heterocyclic pharmacophoric assemblies of different ring sizes. In parallel, They are also using various molecular modeling techniques such as molecular docking, molecular dynamics, QSPR and density functional theory (DFT) calculations to complement our experimental studies.

Current projects

Dr Singh’s group is currently using the molecular hybridization and cycloaddition methodologies to prepare a variety of heterocyclic scaffolds including pyrimidinones, beta-lactams, thiadiazolo-pyrimidinones, caumarin-1,2,3-triazoles, coumarin-oxadiazole, pyrazoles, chalcones, alkenes, thiadiazole-thiazolidinoneconjugates. Some of the synthesized compounds such as pyrimidinones, tetra substituted alkenes, coumarins and carbapenam chalcones, tested in vitro against breast (MCF-7, MDA-MB-231), lung (A-549), colon (Caco2), hepatocellular (HepG2) and cervical (HeLa) cancer cell lines have shown promising activities. Additionally, we are also exploring the antidiabetic and antimicrobial potential of thiazolidone-and quinoline-based heterocycles. We are also using molecular docking simulations to determine the binding modes of potent compounds in the active sites of their receptors.

Associations/ Affiliations

  • Research Fellow
  • Department of Chemistry
  • Durban University of Technology, Durban, South AfricaJan2007-Dec 2013 Post-Doctoral Fellow
  • Department of Chemistry
  • Durban University of Technology
  • Durban
  • South Africa June 2006-Sept 2007
  • Research Scientist
  • Active Pharmaceutical Ingredients unit, Research and Development Unit
  • Jubilant Organosys, Sector- 59
  • Noida,
  • India Jan 2005-May 2006 Senior Research Fellow Fellowship awarded by Council of Scientific and Industrial Research (CSIR), New Delhi, India).



  • School of Molecular and Cell BiologymUniversity of the Witwatersrand Johannesburg.
  • Department of Chemistry, Durban University of Technology, Durban 
  • Department of Chemistry, University of Johanesburg, Johanesburg 
  • Department of Biochemistry School of Life Sciences, University of KwaZulu-Natal 
  • Department of Chemistry, University of Zululand 
  • Department of Microbiology School of Life Sciences, University of KwaZulu-Natal, Westville Campus
  • Department of Biotechnology and Food Technology, ML Sultan Campus, Durban University of Technology
  • Department of Chemistry, Mangosuthu University of Technology, Durban.


  • Sytheon Ltd315 Wootton Street, Boonton, NJ 07005, USA• 
  • Department of Chemistry, Guru Nanak Dev University (GNDU), Amritsar, Punjab (India)
  •  Department of Chemical Sciences, I. K. Gujral Punjab Technical University, Kapurthala, Punjab, India
  • Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, JamiaNagar, India
  • Department d’ Enginyeria Quimica, Universitat Politecnica de Catalunya, Barcelona, Spain
  • School of Pharmaceutical Sciences, Apeejay Stya University, Gurgaon, India
  • Department of Pharmacology, Penn State Hershey Cancer Institute, Hershey, USA.
  •  CSIR-Institute of Himalayan Bioresource Technology, Palampur, HP, India
  • Department of Chemistry, GITAM Institute of Sciences, GITAM University, Visakhapatnam, AndhraPradesh, India
  • Departamento de Quimica Analitica, Facultad de Farmacia, Universidad de Valencia, Spain
  • CO-ADD, University of Queensland, Brisbane, Australia• Department of Biological Sciences, University of the Pacific, Stockton, California, USA


Parvesh Singh_group1