About me
Charis Smart Akpan is a postgraduate Chemistry student (MSc/PhD) at the Air Force Institute of Technology (AFIT), Kaduna, Nigeria, supervised by Dr. Usman Lawal. Her research focuses on computational molecular docking and structure-based drug discovery, with a particular emphasis on natural product-derived AMPK activators for Type 2 Diabetes Mellitus treatment. Beyond academics, she serves as a dedicated science and mathematics educator at Thrivetop Academy, supporting students across multiple educational levels.
PROFESSIONAL SUMMARY
Accomplished chemistry scholar with First-Class Honours degree and demonstrated expertise in computational medicinal chemistry, natural product pharmacology, and structure-based drug discovery. Currently pursuing M.Sc. in Chemistry at the Air Force Institute of Technology (AFIT), Kaduna, with research focused on molecular docking and pharmacodynamic analysis of phytoconstituents as novel AMPK activators for Type 2 Diabetes Mellitus management. Experienced educator, diligent researcher, and emerging leader combining rigorous scientific methodology with community engagement and innovative therapeutic solutions for underserved populations.
EDUCATION
M.Sc. Chemistry (In Progress)
Air Force Institute of Technology (AFIT), Kaduna, Nigeria | May 2026 – Present
Department of Chemistry | Supervisor: Dr. Usman Lawal
Thesis Title: "Molecular Docking and Pharmacodynamics of Hunteria umbellata Phytoconstituents as AMPK Activators for Type 2 Diabetes Mellitus Management"
Research Focus: Structure-based molecular docking using SwissDock and Molegro Virtual Docker; AMPK target characterization; computational pharmacokinetics (ADMET) profiling; redocking validation (RMSD analysis); structure-activity relationship (SAR) analysis; protein-ligand interaction mapping at residue level; pharmacodynamic pathway elucidation
Key Achievements: Identified chlorogenic acid and alkaloid compounds (corymine, erinidine) as novel ATP-competitive AMPK activators with predicted affinities rivaling synthetic pharmaceuticals; generated comprehensive 15,000+ word thesis chapters with publication-quality analysis; conducted redocking validation confirming protocol accuracy (RMSD = 1.34 Å)
Advanced Coursework Completed: CHM 823 (Chemistry of Paints, Adhesives, and Natural Rubber Latex Technology); CHM 821 (Advanced Organometallic Chemistry); CHM 421/811/911 (Advanced Spectroscopy)
B.Sc. Chemistry (First Class Honours)
Air Force Institute of Technology (AFIT), Kaduna, Nigeria | 2020 – 2024
Department of Chemistry
Distinction: Best Female Graduating Student of the 2024 Set
Academic Performance: Consistent First-Class achievement throughout undergraduate studies; demonstrated mastery of organic, inorganic, physical, and analytical chemistry; excelled in laboratory work and theoretical coursework; strong foundation in spectroscopic techniques (UV-Vis, IR, NMR, Mass Spectrometry)
Coursework: Organic synthesis, inorganic chemistry, physical chemistry, analytical methods, environmental chemistry, industrial chemistry, pharmaceutical chemistry, biochemistry
RESEARCH & PROFESSIONAL EXPERIENCE
Graduate Research Assistant
Air Force Institute of Technology (AFIT), Department of Chemistry, Kaduna | January 2025 – December 2025
Duties & Achievements:
• Conducted comprehensive literature review and database mining identifying 11 compounds from Hunteria umbellata for computational screening
• Performed molecular docking studies using SwissDock (Attracting Cavities 2.0 algorithm) and Molegro Virtual Docker, screening phytoconstituents and reference compounds against AMPK (PDB: 4RER) target
• Executed redocking validation protocol using PyMOL, confirming docking accuracy (RMSD = 1.34 Å) via native ligand (AMP) reproduction
• Conducted residue-level interaction analysis for top-ranked compounds, identifying key hydrogen bonding networks, aromatic stacking interactions, and cation-π contacts within ATP-binding pocket
• Performed Lipinski's Rule of Five assessment and ADMET (absorption, distribution, metabolism, excretion, toxicity) profiling using SwissADME, predicting oral bioavailability and pharmacokinetic properties
• Generated comprehensive results tables ranking all 11 compounds by predicted binding affinity (SwissParam Score)
• Prepared detailed methodology documentation, results interpretation, and mechanistic pharmacodynamics analysis
• Assisted in organization and data management of research outputs
Educational Content Creator & Tutor
Thrivetop Academy, Kaduna | 2024 – Present
Responsibilities & Achievements:
• Developed comprehensive educational materials for IGCSE and GCSE curricula across Biology, Chemistry, Physics, and Mathematics
• Created structured lesson plans, worksheets, and assessment materials for multiple year groups (Year 2 through Year 13 / IGCSE level)
• Designed and administered physics examination papers covering Electricity, Mirrors, Lenses, Waves, and Magnetism modules
• Generated detailed progress reports and personalized learning materials for individual students
• Prepared targeted IGCSE Chemistry instruction on atomic structure, bonding, stoichiometry, and reaction mechanisms
• Authored comprehensive exam preparation resources and worked answers for standardized assessments
• Demonstrated commitment to student success through differentiated instruction and progress monitoring
• Subjects taught: Physics, Chemistry, Biology, Mathematics; Levels: GCSE, IGCSE, Advanced Placement-equivalent
• Student cohort range: 15+ students across multiple institutions and year groups
RESEARCH EXPERTISE & TECHNICAL SKILLS
Computational Chemistry & Drug Discovery
• Molecular docking software: SwissDock (Attracting Cavities 2.0, DrugScore, EADock DSX algorithm), Molegro Virtual Docker
• Protein structure preparation and ligand preparation workflows
• Binding affinity prediction and scoring function methodology
• Root-mean-square deviation (RMSD) calculations and docking validation protocols
• ADMET prediction tools: SwissADME (pharmacokinetic property modeling)
• Lipinski's Rule of Five and drug-likeness assessment
• Residue-level interaction analysis and protein-ligand binding mode visualization
• Structure-activity relationship (SAR) analysis and mechanistic interpretation
Molecular & Analytical Chemistry
• Proficiency in nuclear magnetic resonance (NMR) spectroscopy (¹H, ¹³C)
• Infrared (IR) and ultraviolet-visible (UV-Vis) spectroscopy
• Mass spectrometry (MS) data interpretation
• Gas chromatography-mass spectrometry (GC-MS)
• Organic synthesis and reaction mechanisms
• Quantitative and qualitative chemical analysis
• Pharmacological mechanism characterization
Software & Data Management
• Molecular visualization: PyMOL, UCSF Chimera
• Python programming for data processing and analysis
• Microsoft Office Suite (Word, Excel, PowerPoint) for professional document preparation
• Jupyter Notebook and terminal-based bioinformatics workflows
• Literature database management (PubChem, ChemSpider, RCSB Protein Data Bank)
• Scientific manuscript preparation and publication-quality figure generation
• Statistical analysis and graphical data representation
RESEARCH INTERESTS & SPECIALIZATIONS
• Computational medicinal chemistry and structure-based drug discovery
• Natural product pharmacology and phytochemical screening
• AMPK signaling and metabolic disease therapeutics
• Type 2 Diabetes Mellitus pathophysiology and treatment innovation
• African medicinal plants as sources of bioactive pharmaceutical leads
• Protein-ligand binding thermodynamics and mechanistic pharmacodynamics
• Rational drug design and SAR-guided compound optimization
• Bioinformatics approaches to accelerate drug development pipelines
ACADEMIC HONORS & RECOGNITION
Best Female Graduating Student (2024)
Air Force Institute of Technology, Department of Chemistry | 2024
Awarded in recognition of exceptional academic performance, consistent First-Class achievement, and demonstrated excellence in chemistry research and practice throughout undergraduate studies.
First-Class Honours Degree
Air Force Institute of Technology, B.Sc. Chemistry | 2024
Maintained First-Class standing throughout four-year undergraduate program, demonstrating mastery of theoretical and practical chemistry across multiple disciplines.
PROFESSIONAL DEVELOPMENT
• Advanced coursework in organometallic chemistry (electron-counting rules, 18-electron rule, organoboron/organoaluminium/organotin chemistry)
• Specialized training in advanced spectroscopic methods (UV-Vis, IR, NMR, Mass Spectrometry)
• Molecular docking and computational drug discovery methodology
• ADMET profiling and pharmacokinetic prediction
• Redocking validation and docking protocol optimization
• Protein structure analysis and ligand-receptor interaction mapping
• Scientific writing and publication preparation for high-impact journals
• Thesis chapter development for publication submission (current targets: Phytotherapy Research, Journal of Natural Products, Molecules, IF 3.5-5.9)
COMMUNITY ENGAGEMENT & LEADERSHIP
Youth Leadership & Event Organization
EPIKRATO 2026 Youth Week Program | Redeemed Christian Church of God (RCCG) Power House Parish, Barnawa GRA, Kaduna | September 2026
• Co-organizer of week-long youth development program (September 14-20, 2026) serving young adults in Kaduna community
• Leadership role alongside Youth Pastor Evang. Jeremiah Joseph
• Responsibilities include program coordination, speaker liaison, resource management, and youth mentorship
• Commitment to bridging faith-based and academic/professional development
PUBLICATION & PRESENTATION TRACK RECORD
In Preparation / Under Development
• Primary research manuscript: "Comprehensive Molecular Docking and Pharmacodynamics Analysis of Hunteria umbellata Phytoconstituents as Novel AMPK Activators for Type 2 Diabetes Mellitus Management"
Target journals: Phytotherapy Research (IF 3.5), Journal of Natural Products (IF 5.2), Molecules (IF 4.6), Nutrients (IF 5.9)
Status: Thesis chapters complete; manuscript refinement in progress
Expected submission: Q3-Q4 2026
• Secondary analyses planned:
- Structure-activity relationship (SAR) insights and computational pharmacodynamics
- ADMET profiling and bioavailability prediction validation
- Off-target kinase selectivity and safety profiling
- Isoform-selective AMPK activation mechanisms
CAREER VISION & GOALS
Short-term (1-2 years):
• Complete M.Sc. thesis and publish findings in high-impact journals
• Transition thesis research into experimental validation phase (kinase assays, cell-based studies)
• Establish trajectory toward Ph.D. in pharmaceutical sciences or medicinal chemistry
Medium-term (3-5 years):
• Pursue Ph.D. in computational medicinal chemistry or pharmaceutical sciences
• Develop independent research program focused on natural product drug discovery
• Establish collaborations with pharmaceutical companies and research institutions
• Build expertise in preclinical drug development and regulatory pathways
Long-term (5-10+ years):
• Establish research career in computational drug discovery and medicinal chemistry
• Develop economically sustainable therapeutics addressing diseases prevalent in underserved populations
• Contribute to bridging knowledge gap between ethnopharmacology and modern molecular medicine
• Lead research team in Africa focused on African medicinal plants as sources of pharmaceutical innovation
• Establish capacity-building programs for computational drug discovery in African research institutions
• Achieve financial stability and professional recognition enabling sustained research impact
PERSONAL STRENGTHS & PROFESSIONAL QUALITIES
• Analytical and problem-solving mindset: Demonstrated through computational research requiring systematic hypothesis testing and data interpretation
• Attention to detail: Meticulous documentation, methodology precision, and data accuracy in research and teaching contexts
• Self-directed learning: Rapidly acquired proficiency in molecular docking software, computational workflows, and advanced chemistry methodologies
• Communication skills: Ability to translate complex chemistry concepts for students at multiple academic levels; professional scientific writing
• Commitment to excellence: Consistent First-Class academic achievement and recognition as top graduating student
• Cultural competence and global perspective: Recognition of interconnection between traditional knowledge, local health needs, and modern pharmaceutical science
• Resilience and adaptability: Successfully navigated transition from undergraduate to graduate research; managed multiple responsibilities (research, teaching, community involvement)
• Collaborative spirit: Worked effectively with supervisors, colleagues, and students; active engagement in community leadership
LANGUAGES & CULTURAL COMPETENCIES
• English: Fluent (professional and academic)
• Nigerian languages: Familiar with local cultural contexts and practices
• Technical communication: Proficient in scientific writing, technical documentation, and academic presentation
• Intercultural collaboration: Experience working with diverse populations (students from multiple backgrounds; academic collaborations)