August 2024
Xylia Quintina Peters > Other Awards
August 2023
Xylia Quintina Peters > Other Awards
Received 2nd prize for the Post-Doctoral Poster Presentation Category
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other-awards
Awards

August 2024 1st Prize Winner in Post-Doctoral Oral Presentation Category

August 2023 2nd Prize Winner in Post-Doctoral Poster Category

About me

A skilled researcher specializing in pharmaceutical chemistry and computational analysis, my expertise lies in
leveraging computational tools for drug delivery and design optimization, as well as exploring novel applications for existing drugs. My experience also includes developing LC-MS/MS methods for drug quantification, demonstrated by my master’s research on HIV and TB drugs. I am proficient in a range of techniques and software such as Linux, Python, Cygwin, Chimera, and the Schrodinger suite. Driven by a commitment to self-development, I am eager to explore emerging technologies like machine learning and AI to contribute to scientific breakthroughs. Beyond my core research, my community engagement activities, including youth forums, soup kitchens, and awareness campaigns, highlight my broader interest in social impact.

Dr Xylia Quintina Peters is a South African pharmaceutical scientist, computational researcher, and postdoctoral fellow with interdisciplinary expertise spanning pharmaceutical chemistry, computational drug design, nanomedicine, and data-driven biomedical research.

Dr Peters holds a PhD in Pharmaceutical Chemistry from the University of KwaZulu-Natal, where her doctoral research centered on a bio-computational investigation of tankyrases as promising oncogenic therapeutic targets. Her work addressed critical challenges in cancer drug discovery, including selectivity and mechanistic ambiguity, through molecular modelling, docking, and molecular dynamics simulations. This research contributed novel structural and mechanistic insights into tankyrase inhibition and strengthened the role of in silico methods in early-stage drug discovery.

She also holds a Master of Medical Science in Pharmaceutical Sciences from UKZN, during which she developed a rapid and cost-effective LC-MS/MS method for the simultaneous quantification of first-line HIV and tuberculosis drugs. This work was motivated by the need for improved therapeutic drug monitoring in resource-limited clinical settings and reflects her longstanding commitment to research with real-world health impact. Her academic foundation is further supported by an Honours degree and Bachelor’s degree in Medical Science (Anatomy), where she conducted extensive anatomical research on the thyroid gland and oesophageal vasculature.

Dr Peters has a strong publication record, with over a dozen peer-reviewed journal articles in high-impact international journals, including ACS Omega, International Journal of Pharmaceutics, Journal of Controlled Release, ACS Applied BioMaterials, and Expert Opinion on Drug Delivery. Her research outputs span cancer therapeutics, antimicrobial resistance, nanocarrier-based drug delivery, inflammasome modulation, and computational pharmacology. She is an active participant in the global scientific community and has presented her work at national and international conferences across Africa, Europe, and the United Kingdom.

In addition to her research contributions, Dr Peters has extensive academic teaching and mentoring experience. She has served as a student lecturer in Medicinal Chemistry and as a demonstrator and research assistant in Anatomy at UKZN, contributing to undergraduate teaching, assessment, and academic development. Her dedication to academic excellence has been recognized through multiple awards, including first prize for postdoctoral oral presentation and second prize for postdoctoral poster presentation at UKZN College of Health Sciences Research Symposia.

Dr Peters is deeply committed to continuous professional development and capacity building in science and technology. She has completed numerous advanced training programmes in bioinformatics, high-performance computing, genomics, molecular modelling, programming, and data analysis. She is currently further strengthening her computational skill set through a Postgraduate Diploma in Data Analytics, reflecting her growing interest in the integration of artificial intelligence, machine learning, and big data approaches into pharmaceutical and biomedical research.

Beyond academia, Dr Peters is a passionate advocate for community engagement, youth development, and science-driven social impact. She has been actively involved in youth advisory groups, mobile medical clinics, soup kitchens, blood donation drives, and health awareness initiatives. Her participation in international youth forums and outreach programmes underscores her belief that science should serve society and that equitable access to healthcare and education is essential for sustainable development.

Dr Peters is a member of several professional and scientific organizations, including the Organization for Women in Science for the Developing World (OWSD), the International Society for Computational Biology, and the Pharmaceutical Society of South Africa. Through her work, mentorship, and service, she aims to contribute meaningfully to scientific innovation while empowering the next generation of women scientists, particularly in low- and middle-income countries.

Her long-term vision is to operate at the interface of pharmaceutical sciences, computational biology, and data analytics, leveraging emerging technologies to address complex global health challenges and to advance inclusive, ethical, and impactful scientific research.

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Other Memberships/Affiliations
International Society for Computational Biology
Pharmaceutical Society of South Africa

Degrees:

2023
Doctorate
Medical and Health Sciences incl Neurosciences
2019
Master
Medical and Health Sciences incl Neurosciences
2016
Undergraduate
Medical and Health Sciences incl Neurosciences

Publications resulting from Research
1. Potential of nanocarrier-mediated delivery of vancomycin for MRSA infections
Vincent O Nyandoro, Eman A Ismail, Abdelrahman Tageldin, Mohammed A Gafar, Xylia Q Peters, Relebohile
Mautsoe, Calvin A Omolo, Thirumala Govender
Expert Opinion on Drug Delivery (2025) https://doi.org/10.1080/17425247.2025.2459756

2. Paving the Way for NLRP3 Inflammasome Inactivation Using ADAM10 and Alpha-Hemolysin: An in
Silico Investigation
Xylia Q Peters, Calvin A Omolo, Thirumala Govender
ACS Omega (2025) https://doi.org/10.1021/acsomega.4c09015

3. Antimicrobial peptide-fucoidan nanoplexes: A novel multifunctional biomimetic nanocarrier for enhanced
vancomycin delivery against bacterial infections and sepsis
Mohammed A Gafar, Calvin A Omolo, Usri H Ibrahim, Xylia Q Peters, Eman A Ismail, Rene Khan, Thirumala
Govender
International Journal of Pharmaceutics (2025) https://doi.org/10.1016/j.ijpharm.2025.125344

4. Multifunctional Dual Enzyme-Responsive Nanostructured Lipid Carriers for Targeting and Enhancing the
Treatment of Bacterial Infections
Kerisha Chetty, Xylia Q. Peters; Calvin A. Omolo; Eman A. Ismail; Mohammed A. Gafar; Eman Elhassan;
Sania Z. F. Kassam; Thirumala Govender
ACS Applied BioMaterials (2024) https://doi.org/10.1021/acsabm.4c01436

5. Engineering dynamic covalent bond-based nanosystems for delivery of antimicrobials against bacterial
infections
Abdelrahman Tageldin; Calvin A. Omolo; Vincent O. Nyandoro; Eman Elhassan; Sania Z.F. Kassam; Xylia Q.
Peters; Thirumala Govender
Journal of Controlled Release (2024) https://doi.org/10.1016/j.jconrel.2024.05.047

6. Exploring the Effects of Chirality of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl) phenyl]imidazolidine-2,4
dione and its Derivatives on the Oncological Target Tankyrase 2. Atomistic Insights
Xylia Q. Peters, Preantha Poonan, Elliasu.Y. Salifu, Mohamed Issa Alahmdi, Nader E. Abo-Dya and Mahmoud
E. S. Soliman
Current Pharmaceutical Biotechnology (2023) https://doi.org/10.2174/1389201024666230330084017

7. Therapeutic Path to Triple Knockout: Investigating the Pan-inhibitory Mechanisms of AKT, CDK9, and
TNKS2 by a novel 2-Phenylquinazolinone derivative in Cancer Therapy- An In-Silico Investigation
Xylia Q Peters, Ghazi Elamin, Aimen Aljoundi, Mohamed Issa Alahmdi, Nader E Abo-Dya, Peter A Sidhom,
Ahmed M Tawfeek, Mahmoud AA Ibrahim, Opeyemi Soremekun, Mahmoud ES Soliman
Current Pharmaceutical Biotechnology (2023) https://doi.org/10.2174/1389201024666230815145001

8. Pharmacophore-based Identification of Potential Mutant Isocitrate Dehydrogenases I/2 Inhibitors: An
Explorative Avenue in Cancer Drug Design.
Preantha Poonan, Xylia Q. Peters, Mohamed Alahmdi, Nader E. Abo-Dya
Anti-Cancer Agents in Medicinal Chemistry (2022) https://doi.org/10.2174/1871520623666221129163001

9. Unravelling the Structural Mechanism of Action of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2
yl)phenyl]imidazolidine-2,4-dione in Dual-Targeting Tankyrase 1 and 2: A Novel Avenue in Cancer
Therapy
Xylia Q. Peters, Clement Agoni, and Mahmoud E.S. Soliman
Cell Biochemistry and Biophysics (2022) https://doi.org/10.1007/s12013-022-01076-2

10. Zoning in on Tankyrases: A Brief Review on the Past, Present and Prospective Studies
Xylia Q. Peters, Thembeka H. Malinga, Clement Agoni, Fisayo A. Olotu and Mahmoud E.S. Soliman
Anti-Cancer Agents in Medicinal Chemistry (2019) 19: 1. https://doi.org/10.2174/1871520619666191019114321

Computational and Systems Biology Conference
2026
icon-pin-location Coastlands Hotel, Musgrave, Durban
Path to a Triple Knockout: A Novel Derivative in Cancer Therapy
College of Health Science Research Symposium
2026
icon-pin-location K-Rith (KZN Research Institute for Tuberculosis & HIV), Durban, South Africa
Paving the Way for NLRP3 Inflammasome Inactivation Using ADAM10 & Alpha-Hemolysin- An in-silico Investigation

College of Health Science Research Symposium
2026
icon-pin-location K-Rith (KZN Research Institute for Tuberculosis & HIV), Durban, South Africa
other-awards
Awards

August 2024 1st Prize Winner in Post-Doctoral Oral Presentation Category

August 2023 2nd Prize Winner in Post-Doctoral Poster Category