{"id":29,"date":"2025-02-11T20:05:48","date_gmt":"2025-02-11T20:05:48","guid":{"rendered":"https:\/\/ww5.msu.ac.zw\/drug-discovery-research-group\/?page_id=29"},"modified":"2025-02-13T09:10:38","modified_gmt":"2025-02-13T09:10:38","slug":"publications","status":"publish","type":"page","link":"https:\/\/ww5.msu.ac.zw\/drug-discovery-research-group\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"<p style=\"text-align: justify;\"><b>PUBLICATIONS<\/b><\/p>\n<ul>\n<li style=\"text-align: justify;\">Zinyama, Ngceboyakwethu P., Upenyu Guyo, and <b>Grace Mugumbate.<\/b> &#8220;Identification of binding sites in nicastrin and binding modes of its inhibitors.&#8221; F1000Research 12, no. 150 (2023): 150.<\/li>\n<li style=\"text-align: justify;\">Ruhwaya, Douglas AM, Brilliant Nyathi, Gadzikano Munyuki, Ryman Shoko, and <b>Grace Mugumbate. <\/b>&#8220;Controlling drug resistance by targeting Plasmodium falciparum heat shock protein 70-1, a chaperone at the centre of protein quality control mechanism: a review.&#8221; All Life 16, no. 1 (2023): 2202301.<\/li>\n<li style=\"text-align: justify;\">Abel, M. Peter, Solomon O. Ogara, and <b>Grace Mugumbate.<\/b> &#8220;Use of information communication technologies by cricket farmers.&#8221; (2023).<\/li>\n<li style=\"text-align: justify;\">Mpofu, Mellisa Chengetai, <b>Grace Mugumbate<\/b>, Calvin Gomo, Arnold Bray Mashingaidze, Zedias Chikwambi, and Chrispen Murungweni. &#8220;Tuberous plants with active compounds against helminths in livestock: A systematic review.&#8221; (2022).<\/li>\n<li style=\"text-align: justify;\">Mtemeli, Floryn Lynorah, Ryman Shoko, Joice Ndlovu, and <b>Grace Mugumbate<\/b><strong>.<\/strong> &#8220;In Silico Study of Cucurbita maxima Compounds as Potential Therapeutics Against Schistosomiasis.&#8221; Bioinformatics and Biology Insights 16 (2022): 11779322221100741.<\/li>\n<li style=\"text-align: justify;\">Mtemeli, Floryn Lynorah, Ryman Shoko, Joice Ndlovu, and <b>Grace Mugumbate<\/b><strong>. <\/strong>&#8220;Study of Compounds as Potential Therapeutics Against Schistosomiasis.&#8221; (2022).<\/li>\n<li style=\"text-align: justify;\">Tukulula, Matshawandile, Idris A. Olasupo, <b>Grace C. Mugumbate<\/b>, Kevin A. Lobb, Rosalyn Klein, Yasien Sayed, Tendamudzimu Tshiwawa, and Perry T. Kaye. &#8220;Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors.&#8221; Journal of Molecular Structure 1268 (2022): 133716.<\/li>\n<li style=\"text-align: justify;\"><b>&nbsp;Mugumbate <b>Grace<\/b>,<\/b> Brilliant Nyathi, Albert Zindoga, and Gadzikano Munyuki. &#8220;Application of computational methods in understanding mutations in Mycobacterium tuberculosis drug resistance.&#8221; Frontiers in Molecular Biosciences 8 (2021): 643849.<\/li>\n<li style=\"text-align: justify;\">Zakio Makuvara, Solomon R. Magano &amp; <b>Grace Mugumbate<\/b>&nbsp;(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<\/li>\n<li style=\"text-align: justify;\">Zakio Makuvara, Solomon Ramagoai Magano &amp; <b>Grace Mugumbate&nbsp;<\/b>(2024) Malaria control and treatment: the role of indigenous practices in Zimbabwe, Cogent Public Health, 11:1, 2347654, DOI: 10.1080\/27707571.2024.2347654<\/li>\n<li style=\"text-align: justify;\">Sigauke, Lester Takunda, Jonathan Bvunzawabaya, Gabrielle Le Bury, Godwin A. Dziwornu, Saikat Boliar, David W. Gludish, David G. Russell, Krishna Govender, <b>Grace Mugumbate<\/b>, and Nyaradzo Chigorimbo-Murefu. &#8220;Accessing anti-HIV activity through the attenuation of USP18 activity: novel insights from molecular dynamic simulations, free-energy profiling, and multi-cellular inhibition assays.&#8221; bioRxiv (2024): 2024-06.<\/li>\n<li style=\"text-align: justify;\">Mpofu, M., <b>Mugumbate, G<\/b>., Gomo, C., Mashingaidze, A. B., Chikwambi, Z., &amp; 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.<\/li>\n<li style=\"text-align: justify;\">Mtemeli, F. L., Shoko, R., Ndlovu, J., &amp; <b>Mugumbate, G.<\/b> (2022). In Silico Study of Cucurbita maxima Compounds as Potential Therapeutics Against Schistosomiasis. Bioinformatics and Biology Insights, 16, 11779322221100741.<\/li>\n<li style=\"text-align: justify;\">Mtemeli, F. L., Ndlovu, J., <b>Mugumbate, G<\/b>., Makwikwi, T., &amp; Shoko, R. (2022). Advances in schistosomiasis drug discovery based on natural products. All Life, 15(1), 608-622.<\/li>\n<li style=\"text-align: justify;\">Moyo, P., <b>Mugumbate, G<\/b>., 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. <a href=\"https:\/\/doi.org\/10.3390\/ph13090251\">https:\/\/doi.org\/10.3390\/ph13090251<\/a><\/li>\n<li style=\"text-align: justify;\">Shoko, R., Manasa, J., Maphosa, M., Mbanga, J., Mudziwapasi, R., Nembaware, V., Sanyika, W Chikwambi, Z., Mawere, C., Matimba, A., <b>Mugumbate, G<\/b>., Mufandaedza, J., Mulder, N., &amp; Patterton, H. (2018). Strategies and opportunities for promoting bioinformatics in Zimbabwe. PLoS computational biology, 14(11), e1006480.<\/li>\n<li style=\"text-align: justify;\">David Mendez, Anna Gaulton, A. Patricia Bento, Jon Chambers, Marleen De Veij, Eloy F\u00e9lix,Mar\u00eda Paula Magari\u00f1os, Juan F. Mosquera, Prudence Mutowo, Michal Nowotka, Mar\u00eda Gordillo- Mara\u00f1\u00f3n, Fiona Hunter, Laura Junco, <b>Grace Mugumbate<\/b>, 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.<\/li>\n<li style=\"text-align: justify;\"><b>Grace Chitima Mugumbate<\/b>, Lorraine Y. Bishi, Freeborn Rwere \u201cNatural Products a Reservoir of Drugs for Treatment of Pulmonary Tuberculosis\u201d. EC Pulmonology and Respiratory Medicine 7.8 (2018): 545-553.<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate, G.,<\/b> 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.<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate, G.,<\/b> 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.<\/li>\n<li style=\"text-align: justify;\">Malhotra, S., <b>Mugumbate, G<\/b>., Blundell, T. L., &amp; Higueruelo, A. P. (2017). \u2018TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species.\u201d Database, 2017(1).<\/li>\n<li style=\"text-align: justify;\">Cox, J. A., <b>Mugumbate, G<\/b>., Del Peral, L. V. G., Jankute, M., Abrahams, K. A., Jervis, P., &#8230; &amp; Leli\u00e8vre, J. (2016). Novel inhibitors of Mycobacterium tuberculosis GuaB2 identified by a target based high-throughput phenotypic screen. Scientific reports-Nature, 6, 38986.<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate, G<\/b>., &amp; Overington, J. P. (2015). The relationship between target-class and the physicochemical properties of antibacterial drugs. J. Bioorg. Med. Chem., <a href=\"http:\/\/dx.doi.org\/10.1016\/j.bmc.2015.04.063\">http:\/\/dx.doi.org\/10.1016\/j.bmc.2015.04.063<\/a><\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate G,<\/b> 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.<\/li>\n<li style=\"text-align: justify;\">Rebollo-Lopez, M.J., Leli\u00e8vre, J., Alvarez-Gomez, D., Castro-Pichel, J., Mart\u00ednez-Jim\u00e9nez, F., Papadatos, G., Kumar, V., Colmenarejo, G., <b>Mugumbate, G.,<\/b> 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).<\/li>\n<li style=\"text-align: justify;\">Sharma, R. K., Younis, Y., <b>Mugumbate, G<\/b>., Njoroge, M., Gut, J., Rosenthal, P. J., &amp; Chibale, K. (2015). Synthesis and structure\u2013activity-relationship studies of thiazolidinediones asantiplasmodial inhibitors of the Plasmodium falciparum cysteine protease falcipain-2. European journal of medicinal chemistry, 90, 507-518.<\/li>\n<li style=\"text-align: justify;\">Barteau Samuel, Heudi Olivier, Kameni Tcheudji Jacques, Streckfuss Judith, Tukulula Matshawandile, Njoroge Mathew, <b>Mugumbate Grace<\/b>, 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.<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate Grace<\/b>, Graham E. Jackson, and David Van der Spoel, (2011), &#8220;Open conformation of adipokinetic hormone receptor from the malaria mosquito facilitates hormone binding.&#8221; Peptides 32, no. 3: 553-559.<\/li>\n<li style=\"text-align: justify;\">Jackson Graham E., Riedaa Gamieldien, <b>Grace Mugumbate,<\/b> Gerd G\u00e4de, (2014), \u201cStructural Studies of Adipokinetic Hormones in Water and DPC Micelle Solution Using NMR Distance Restrained Molecular Dynamics\u201d, Peptides, DOI:10.1016\/j.peptides.2013.12.019.<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate, G<\/b>., Papadatos, G., &amp; Overington, J. P. (2014). Deorphaning anti-tuberculosis compounds using chemogenomic approaches and data from the ChEMBL database. International Journal of Infectious Diseases, (21), 198.<\/li>\n<li style=\"text-align: justify;\">Sharma, R. K., <b>Mugumbate, G<\/b>., Younis, Y., Gut, J., Rosenthal, P., &amp; Chibalea, K. Synthesis and evaluation of thiazolidinediones derivatives as antiplasmodial inhibitors of the cysteine protease falcipain-2. Plenary Lectures, p196<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate, Grace<\/b>, 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.<\/li>\n<li style=\"text-align: justify;\">Moorad, R., <b>Mugumbate, G<\/b>., Chibale, K., &amp; Zerbini, L. (2014). In silico anticancer drug discovery to find NF\u03baB inhibitors. The Febs Journal, 281, 133-134.<\/li>\n<li style=\"text-align: justify;\"><strong>Mugumbate, Grace<\/strong>, Graham E. Jackson, David van der Spoel, Katalin E. K\u00f6v\u00e9r, and L\u00e1szl\u00f3 Szil\u00e1gyi. (2013), &#8220;Anopheles gambiae, Anoga-HrTH hormone, free and bound structure\u2013A nuclear magnetic resonance experiment.&#8221; Peptides 41: 94-100.<\/li>\n<li style=\"text-align: justify;\">Tukulula, Matshawandile, Mathew Njoroge, <b>Grace C. Mugumbate<\/b>, Jiri Gut, Philip J. Rosenthal, Samuel Barteau, Judith Streckfuss, Olivier Heudi, Jacques Kameni-Tcheudji, and Kelly Chibale. (2013),&#8221;Tetrazole-based deoxyamodiaquines: Synthesis, ADME\/PK profiling and pharmacological evaluation as potential antimalarial agents.&#8221; Bioorganic &amp; Medicinal Chemistry 21, no. 17: 4904-4913.<\/li>\n<li style=\"text-align: justify;\">Espinoza-Moraga, Marlene, Nicholas M. Njuguna, <b>Grace Mugumbate<\/b>, Julio Caballero, and Kelly Chibale. (2013), &#8220;In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs.&#8221; Journal of Chemical Information and Modelling 53, no. 3 649-660.<\/li>\n<li style=\"text-align: justify;\">Tukulula, Matshawandile, Mathew Njoroge, Efrem T. Abay, <b>Grace C. Mugumbate<\/b>, Lubbe Wiesner, Dale Taylor, Liezl Gibhard et al. (2013), &#8220;Synthesis and in Vitro and in Vivo Pharmacological Evaluation of New 4-Aminoquinoline-Based Compounds.&#8221; ACS medicinal chemistry letters 4, no. 12 : 1198-1202.<\/li>\n<li style=\"text-align: justify;\">Mutai, Peggoty, Matthias Heydenreich, Grace Thoithi, <b>Grace Mugumbate,<\/b> Kelly Chibale, and Abiy Yenesew. (2013), &#8220;3-Hydroxyisoflavanones from the stem bark of Dalbergia melanoxylon: Isolation, antimycobacterial evaluation and molecular docking studies.&#8221; Phytochemistry Letters 6, no. 4: 671-675.<\/li>\n<li style=\"text-align: justify;\">Nyaradzo T L Chigorimbo-Murefu, Njorogel M, Louw S, <b>Mugumbate G,<\/b> Chibale K., (2013) \u201cDrug metabolite generation using a laboratory evolved NADPH independent cytochrome P450: application of in vitro and in silico approaches\u201d. Drug Metab Lett 7(1), 68-77.<\/li>\n<li style=\"text-align: justify;\"><b>Mugumbate<\/b>, Grace Chitima. (2010) &#8220;Enhancing the fight against malaria: from genome to structure and activity of a G-protein coupled receptor from the mosquito, Anopheles Gambiae.&#8221; PhD diss., University of Cape Town (published).<\/li>\n<li style=\"text-align: justify;\">Bishi, L. Y., Vedithi, S. C., Blundell, T. L., &amp; <b>Mugumbate, G.<\/b> (2019). Computational Deorphaning of Mycobacterium tuberculosis Targets. In Tuberculosis-Beyond the Biomedical. IntechOpen. DOI: 10.5772\/intechopen.82374<\/li>\n<li style=\"text-align: justify;\">Chigorimbo-Murefu, N. T, <b>Mugumbate, G<\/b>. and Chibale, K. (2014) \u201cEnabling Technologies to Facilitate Natural Product-Based Drug Discovery from African Biodiversity\u201d, in Novel Plant Bioresources: Applications in Food, Medicine and Cosmetics (ed A. Gurib-Fakim), John Wiley &amp; Sons, Ltd, Chichester, UK. doi: 10.1002\/9781118460566.ch4. Armstrong, D., Burke, M., Huerta, L., Levchenko, M., Mitchell, A., Morgan, S.,<b> Mugumbate, G.<\/b>, Mutowo, P., Orchard, S., Perry, E. and Pundir, S., (2017), 10th Anniversary Treasure Hunt. European Bioinformatics Institute, <a href=\"https:\/\/www.ebi.ac.uk\/training\/online\/course\/10th-anniversary-treasure-hunt\">https:\/\/www.ebi.ac.uk\/training\/online\/course\/10th-anniversary-treasure-hunt<\/a><\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>PUBLICATIONS Zinyama, Ngceboyakwethu P., Upenyu Guyo, and Grace Mugumbate. &#8220;Identification of binding sites in nicastrin and binding modes of its inhibitors.&#8221; F1000Research 12, no. 150 (2023): 150. Ruhwaya, Douglas AM, [&hellip;]<\/p>\n","protected":false},"author":22,"featured_media":0,"parent":0,"menu_order":1,"comment_status":"closed","ping_status":"closed","template":"","meta":{"ngg_post_thumbnail":0,"pgc_sgb_lightbox_settings":"","footnotes":""},"categories":[],"tags":[],"featured_image_urls":{"full":"","thumbnail":"","medium":"","medium_large":"","large":"","1536x1536":"","2048x2048":"","newsmag-single-post":"","newsmag-recent-post-big":"","newsmag-post-horizontal":"","newsmag-vertical-post":"","newsmag-post-grid":"","newsmag-post-grid-small":"","newsmag-recent-post-list-image":"","newsmag-slider-image":"","thumb_255x255":"","audioigniter_cover":""},"post_excerpt_stackable":"<p>PUBLICATIONS Zinyama, Ngceboyakwethu P., Upenyu Guyo, and Grace Mugumbate. &#8220;Identification of binding sites in nicastrin and binding modes of its inhibitors.&#8221; F1000Research 12, no. 150 (2023): 150. Ruhwaya, Douglas AM, Brilliant Nyathi, Gadzikano Munyuki, Ryman Shoko, and Grace Mugumbate. &#8220;Controlling drug resistance by targeting Plasmodium falciparum heat shock protein 70-1, a chaperone at the centre of protein quality control mechanism: a review.&#8221; All Life 16, no. 1 (2023): 2202301. Abel, M. Peter, Solomon O. Ogara, and Grace Mugumbate. &#8220;Use of information communication technologies by cricket farmers.&#8221; (2023). Mpofu, Mellisa Chengetai, Grace Mugumbate, Calvin Gomo, Arnold Bray Mashingaidze, Zedias Chikwambi, and&hellip;<\/p>\n","category_list":"Uncategorized","author_info":{"name":"Webmaster","url":"https:\/\/ww5.msu.ac.zw\/drug-discovery-research-group\/author\/chemistry-research-group\/"},"comments_num":"0 comments","yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v23.5 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Publications - Drug Discovery and Informatics Research Group<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/ww5.msu.ac.zw\/drug-discovery-research-group\/publications\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Publications - Drug Discovery and Informatics Research Group\" \/>\n<meta property=\"og:description\" content=\"PUBLICATIONS Zinyama, Ngceboyakwethu P., Upenyu Guyo, and Grace Mugumbate. &#8220;Identification of binding sites in nicastrin and binding modes of its inhibitors.&#8221; F1000Research 12, no. 150 (2023): 150. 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