Dr Warispreet Singh

Dr Warispreet Singh is a Vice-Chancellor’s Fellow in the Hub for Biotechnology in the Built Environment (HBBE) at Northumbria University. Warispreet did his MSc in Bioinformatics and Computational System’s Biology at Newcastle University and his PhD in Theoretical Chemistry from Northumbria University. He did a post-doc at Queen’s University, Belfast and Almac Group where he was involved in designing mutations to improve the catalytic efficiency of industrially important enzymes. His research is focused primarily on computational enzyme design for protein engineering using molecular docking, atomistic simulations, free energy calculations and quantum mechanical calculations (QMMM), to improve the catalytic efficiency, stereoselectivity, and regioselectivity of industrially important enzymes.  Warispreet will be involved in the Building Metabolism and Living Construction themes of the HBBE. He will focus on the rational design of the enzyme mutants. These mutants will be screened experimentally for the improvement of catalytic efficiency, stereo-regioselectivity and improved thermal stability.

• Please visit the Pure Research Information Portal for further information
• Remarkably Selective Binding, Behavior Modification, and Switchable Release of (Bipyridine)3Ru(II) vis-à-vis (Phenanthroline)3Ru(II) by Trimeric Cyclophanes in Water, Lin, H., Yao, C., Li, J., Nimal Gunaratne, H., Singh, W., Huang, M., Anslyn, E., De Silva, A. 28 Aug 2023, In: JACS Au
• Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase, Singh, W., Santos, S., Yadav, S., Black, G., Dubey, K. 16 May 2023, In: Biochemistry
• The substrate specificity in the O-demethylation of 4-alkylguaiacols by cytochrome P450 AgcAP450, Santos, S., Bommareddy, R., Black, G., Singh, W., Huang, M. 7 Apr 2023, In: Catalysis Science and Technology
• Computer-Informed Engineering: A New Class I Sesquiterpene Synthase JeSTS4 for the Synthesis of an Unusual C10-(S)-Bicyclogermacrene, Yang, X., Zhou, J., Ge, J., Liu, W., Liang, D., Singh, W., Nie, S., Black, G., Liu, J., Sun, M., Qiao, J., Huang, M. 1 Apr 2022, In: ACS Catalysis
• Single-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450_GcoA, Singh, W., Santos, S., Black, G., James, P., Huang, M., Dubey, K. 21 Jun 2022, In: ACS Omega
• Taming Tris (bipyridine) ruthenium (II) and Its Reactions in Water by Capture/Release with Shape-Switchable Symmetry-Matched Cyclophanes, Yao, C., Lin, H., Daly, B., Xu, Y., Singh, W., Gunaratne, H., Browne, W., Bell, S., Nockemann, P., Huang, M., Kavanagh, P., De Silva, A. 23 Mar 2022, In: Journal of the American Chemical Society
• Simulations Reveal Key Role of Arg15 for Promiscuous Activity in HisA Enzyme, Dubey, K., Singh, W. 28 Dec 2021, In: Organic & Biomolecular Chemistry
• Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis, Olatunji, S., Bowen, K., Huang, C., Weichert, D., Singh, W., Tikhonova, I., Scanlan, E., Olieric, V., Caffrey, M. Dec 2021, In: Nature Communications
• Thebaine is Selectively Demethylated by Thebaine 6-O-Demethylase and Codeine-3-O-demethylase at Distinct Binding Sites: A Computational Study, Singh, W., Hui, C., Li, C., Huang, M. 19 Jul 2021, In: Inorganic Chemistry
• Regio- and stereoselectivity in the CYP450BM3-catalyzed hydroxylation of complex terpenoids: a QM/MM study, Hui, C., Singh, W., Quinn, D., Li, C., Moody, T., Huang, M. 14 Oct 2020, In: Physical Chemistry Chemical Physics

• Guillaume Houppy Computational approaches to engineer enzymes for improved cold-water performance Start Date: 01/10/2022
• Sonia Gomes Dos Santos Computational Enzyme Engineering for Biomass Breakdown: Unlocking Sustainable Lignocellulosic Resource Valorization Start Date: 01/10/2020

Chemistry PhD February 27 2017