PUBLICATIONS

  • Zinyama, Ngceboyakwethu P., Upenyu Guyo, and Grace Mugumbate. “Identification of binding sites in nicastrin and binding modes of its inhibitors.” F1000Research 12, no. 150 (2023): 150.
  • Ruhwaya, Douglas AM, Brilliant Nyathi, Gadzikano Munyuki, Ryman Shoko, and Grace Mugumbate. “Controlling drug resistance by targeting Plasmodium falciparum heat shock protein 70-1, a chaperone at the centre of protein quality control mechanism: a review.” All Life 16, no. 1 (2023): 2202301.
  • Abel, M. Peter, Solomon O. Ogara, and Grace Mugumbate. “Use of information communication technologies by cricket farmers.” (2023).
  • Mpofu, Mellisa Chengetai, Grace Mugumbate, Calvin Gomo, Arnold Bray Mashingaidze, Zedias Chikwambi, and Chrispen Murungweni. “Tuberous plants with active compounds against helminths in livestock: A systematic review.” (2022).
  • Mtemeli, Floryn Lynorah, Ryman Shoko, Joice Ndlovu, and Grace Mugumbate. “In Silico Study of Cucurbita maxima Compounds as Potential Therapeutics Against Schistosomiasis.” Bioinformatics and Biology Insights 16 (2022): 11779322221100741.
  • Mtemeli, Floryn Lynorah, Ryman Shoko, Joice Ndlovu, and Grace Mugumbate. “Study of Compounds as Potential Therapeutics Against Schistosomiasis.” (2022).
  • Tukulula, Matshawandile, Idris A. Olasupo, Grace C. Mugumbate, Kevin A. Lobb, Rosalyn Klein, Yasien Sayed, Tendamudzimu Tshiwawa, and Perry T. Kaye. “Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors.” Journal of Molecular Structure 1268 (2022): 133716.
  •  Mugumbate Grace, Brilliant Nyathi, Albert Zindoga, and Gadzikano Munyuki. “Application of computational methods in understanding mutations in Mycobacterium tuberculosis drug resistance.” Frontiers in Molecular Biosciences 8 (2021): 643849.
  • Zakio Makuvara, Solomon R. Magano & Grace Mugumbate (2024) Malaria situation and elimination in Africa with specific focus on Zimbabwe: a systematic review, Cogent Public Health, 11:1, 2376945, DOI: 10.1080/27707571.2024.2376945
  • Zakio Makuvara, Solomon Ramagoai Magano & Grace Mugumbate (2024) Malaria control and treatment: the role of indigenous practices in Zimbabwe, Cogent Public Health, 11:1, 2347654, DOI: 10.1080/27707571.2024.2347654
  • Sigauke, Lester Takunda, Jonathan Bvunzawabaya, Gabrielle Le Bury, Godwin A. Dziwornu, Saikat Boliar, David W. Gludish, David G. Russell, Krishna Govender, Grace Mugumbate, and Nyaradzo Chigorimbo-Murefu. “Accessing anti-HIV activity through the attenuation of USP18 activity: novel insights from molecular dynamic simulations, free-energy profiling, and multi-cellular inhibition assays.” bioRxiv (2024): 2024-06.
  • Mpofu, M., Mugumbate, G., Gomo, C., Mashingaidze, A. B., Chikwambi, Z., & Murungweni, C. (2022). Tuberous plants with active compounds against helminths in livestock: A systematic review: The role of plants with medicinal value to livestock production and health. Ethnobotany Research and Applications, 24, 1-36.
  • Mtemeli, F. L., Shoko, R., Ndlovu, J., & Mugumbate, G. (2022). In Silico Study of Cucurbita maxima Compounds as Potential Therapeutics Against Schistosomiasis. Bioinformatics and Biology Insights, 16, 11779322221100741.
  • Mtemeli, F. L., Ndlovu, J., Mugumbate, G., Makwikwi, T., & Shoko, R. (2022). Advances in schistosomiasis drug discovery based on natural products. All Life, 15(1), 608-622.
  • Moyo, P., Mugumbate, G., Eloff, J.N., Louw, A.I., Maharaj, V.J., Birkholtz, L.-M. (2020). Natural Products: A Potential Source of Malaria Transmission Blocking Drugs?, Pharmaceuticals, 13(9), 251. https://doi.org/10.3390/ph13090251
  • Shoko, R., Manasa, J., Maphosa, M., Mbanga, J., Mudziwapasi, R., Nembaware, V., Sanyika, W Chikwambi, Z., Mawere, C., Matimba, A., Mugumbate, G., Mufandaedza, J., Mulder, N., & Patterton, H. (2018). Strategies and opportunities for promoting bioinformatics in Zimbabwe. PLoS computational biology, 14(11), e1006480.
  • David Mendez, Anna Gaulton, A. Patricia Bento, Jon Chambers, Marleen De Veij, Eloy Félix,María Paula Magariños, Juan F. Mosquera, Prudence Mutowo, Michal Nowotka, María Gordillo- Marañón, Fiona Hunter, Laura Junco, Grace Mugumbate, Milagros Rodriguez-Lopez, Francis Atkinson, Nicolas Bosc, Chris J. Radoux, Aldo Segura-Cabrera, Anne Hersey and Andrew R. Leach, (2018), ChEMBL: Towards Direct Deposition of Bioassay Data, Nucleic Acids Research, 1-11, doi: 10.1093/nar/gky1075.
  • Grace Chitima Mugumbate, Lorraine Y. Bishi, Freeborn Rwere “Natural Products a Reservoir of Drugs for Treatment of Pulmonary Tuberculosis”. EC Pulmonology and Respiratory Medicine 7.8 (2018): 545-553.
  • Mugumbate, G., Mendes, V., Blaszczyk, M., Sabbah, M., Papadatos, G., Lelievre, J., Ballell, L., Barros, D., Abell, C., Blundell, T.L. and Overington, J.P., 2017. Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Frontiers in Pharmacology, 8, 681.
  • Mugumbate, G., Mendes, V., Blaszczyk, M., Sabbah, M., Papadatos, G., Lelievre, J., Ballell, L., Barros, D., Abell, C., Blundell, T.L. and Overington, J.P., (2017). Supplementary Information Target identification of Mycobacterium tuberculosis phenotypic hits using a concerted chemogenomic, biophysical and structural approach. Parameters, 44(47.2), pp.670.
  • Malhotra, S., Mugumbate, G., Blundell, T. L., & Higueruelo, A. P. (2017). ‘TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species.” Database, 2017(1).
  • Cox, J. A., Mugumbate, G., Del Peral, L. V. G., Jankute, M., Abrahams, K. A., Jervis, P., … & Lelièvre, J. (2016). Novel inhibitors of Mycobacterium tuberculosis GuaB2 identified by a target based high-throughput phenotypic screen. Scientific reports-Nature, 6, 38986.
  • Mugumbate, G., & Overington, J. P. (2015). The relationship between target-class and the physicochemical properties of antibacterial drugs. J. Bioorg. Med. Chem., http://dx.doi.org/10.1016/j.bmc.2015.04.063
  • Mugumbate G, Abrahams KA, Cox JAG, Papadatos G, van Westen G, et al. (2015) Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation. PLoS ONE 10(3): e0121492. doi:10.1371/journal.pone.0121492.
  • Rebollo-Lopez, M.J., Lelièvre, J., Alvarez-Gomez, D., Castro-Pichel, J., Martínez-Jiménez, F., Papadatos, G., Kumar, V., Colmenarejo, G., Mugumbate, G., Hurle, M. and Barroso, V., (2015). Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery. PloS One, 10(12).
  • Sharma, R. K., Younis, Y., Mugumbate, G., Njoroge, M., Gut, J., Rosenthal, P. J., & Chibale, K. (2015). Synthesis and structure–activity-relationship studies of thiazolidinediones asantiplasmodial inhibitors of the Plasmodium falciparum cysteine protease falcipain-2. European journal of medicinal chemistry, 90, 507-518.
  • Barteau Samuel, Heudi Olivier, Kameni Tcheudji Jacques, Streckfuss Judith, Tukulula Matshawandile, Njoroge Mathew, Mugumbate Grace, Little Susan, Grut Jiri, Rosenthal Philip J, Wan Baojie, Franzblau Scott G and Chibale, Kelly (2013) Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial and antituberculosis agents. Journal of medicinal chemistry, 21 (17). 4904-4913.
  • Mugumbate Grace, Graham E. Jackson, and David Van der Spoel, (2011), “Open conformation of adipokinetic hormone receptor from the malaria mosquito facilitates hormone binding.” Peptides 32, no. 3: 553-559.
  • Jackson Graham E., Riedaa Gamieldien, Grace Mugumbate, Gerd Gäde, (2014), “Structural Studies of Adipokinetic Hormones in Water and DPC Micelle Solution Using NMR Distance Restrained Molecular Dynamics”, Peptides, DOI:10.1016/j.peptides.2013.12.019.
  • Mugumbate, G., Papadatos, G., & Overington, J. P. (2014). Deorphaning anti-tuberculosis compounds using chemogenomic approaches and data from the ChEMBL database. International Journal of Infectious Diseases, (21), 198.
  • Sharma, R. K., Mugumbate, G., Younis, Y., Gut, J., Rosenthal, P., & Chibalea, K. Synthesis and evaluation of thiazolidinediones derivatives as antiplasmodial inhibitors of the cysteine protease falcipain-2. Plenary Lectures, p196
  • Mugumbate, Grace, Ana S. Newton, Philip J. Rosenthal, Jiri Gut, Rui Moreira, Kelly Chibale, Rita C. Guedes, (2013), Novel anti-Plasmodial hits identified by virtual screening of the ZINC database, J. Comp. Aided Mol des, 27, 859-871.
  • Moorad, R., Mugumbate, G., Chibale, K., & Zerbini, L. (2014). In silico anticancer drug discovery to find NFκB inhibitors. The Febs Journal, 281, 133-134.
  • Mugumbate, Grace, Graham E. Jackson, David van der Spoel, Katalin E. Kövér, and László Szilágyi. (2013), “Anopheles gambiae, Anoga-HrTH hormone, free and bound structure–A nuclear magnetic resonance experiment.” Peptides 41: 94-100.
  • Tukulula, Matshawandile, Mathew Njoroge, Grace C. Mugumbate, Jiri Gut, Philip J. Rosenthal, Samuel Barteau, Judith Streckfuss, Olivier Heudi, Jacques Kameni-Tcheudji, and Kelly Chibale. (2013),”Tetrazole-based deoxyamodiaquines: Synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents.” Bioorganic & Medicinal Chemistry 21, no. 17: 4904-4913.
  • Espinoza-Moraga, Marlene, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. (2013), “In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs.” Journal of Chemical Information and Modelling 53, no. 3 649-660.
  • Tukulula, Matshawandile, Mathew Njoroge, Efrem T. Abay, Grace C. Mugumbate, Lubbe Wiesner, Dale Taylor, Liezl Gibhard et al. (2013), “Synthesis and in Vitro and in Vivo Pharmacological Evaluation of New 4-Aminoquinoline-Based Compounds.” ACS medicinal chemistry letters 4, no. 12 : 1198-1202.
  • Mutai, Peggoty, Matthias Heydenreich, Grace Thoithi, Grace Mugumbate, Kelly Chibale, and Abiy Yenesew. (2013), “3-Hydroxyisoflavanones from the stem bark of Dalbergia melanoxylon: Isolation, antimycobacterial evaluation and molecular docking studies.” Phytochemistry Letters 6, no. 4: 671-675.
  • Nyaradzo T L Chigorimbo-Murefu, Njorogel M, Louw S, Mugumbate G, Chibale K., (2013) “Drug metabolite generation using a laboratory evolved NADPH independent cytochrome P450: application of in vitro and in silico approaches”. Drug Metab Lett 7(1), 68-77.
  • Mugumbate, Grace Chitima. (2010) “Enhancing the fight against malaria: from genome to structure and activity of a G-protein coupled receptor from the mosquito, Anopheles Gambiae.” PhD diss., University of Cape Town (published).
  • Bishi, L. Y., Vedithi, S. C., Blundell, T. L., & Mugumbate, G. (2019). Computational Deorphaning of Mycobacterium tuberculosis Targets. In Tuberculosis-Beyond the Biomedical. IntechOpen. DOI: 10.5772/intechopen.82374
  • Chigorimbo-Murefu, N. T, Mugumbate, G. and Chibale, K. (2014) “Enabling Technologies to Facilitate Natural Product-Based Drug Discovery from African Biodiversity”, in Novel Plant Bioresources: Applications in Food, Medicine and Cosmetics (ed A. Gurib-Fakim), John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/9781118460566.ch4. Armstrong, D., Burke, M., Huerta, L., Levchenko, M., Mitchell, A., Morgan, S., Mugumbate, G., Mutowo, P., Orchard, S., Perry, E. and Pundir, S., (2017), 10th Anniversary Treasure Hunt. European Bioinformatics Institute, https://www.ebi.ac.uk/training/online/course/10th-anniversary-treasure-hunt