Academic & Research Journey

Biochemistry, Molecular Biology & Computational Drug Discovery

Md. Mustak Khan
Researcher Profile

Md. Mustak Khan

Research Assistant & Lab Manager · University of Chittagong
Founding Member & Instructor · BioPC Bioinformatics Lab

I am an early-career researcher in Biochemistry and Molecular Biology at the University of Chittagong, focused on bridging experimental wet-lab rigor with translational computational biology. My research philosophy is rooted in exploring nature-derived bioactive compounds and decoding their therapeutic mechanisms against oxidative stress, aging, and metabolic disorders.

In the wet lab, I specialize in Caenorhabditis elegans culture, longevity profiling, stress resistance assays, and spectrophotometric antioxidant evaluations. In computational biology, I drive computer-aided drug design (CADD), molecular docking simulations, ADMET pharmacokinetics, and network pharmacology pipelines to uncover disease targets and optimize lead candidates.

Biochemistry Molecular Biology Bioinformatics & CADD C. elegans Assays Phytomedicine Network Pharmacology
Active Endeavors

Currently Working On

Real-time research initiatives, manuscripts in progress, and computational projects.

Manuscript Submissions & Prep

Co-authored submitted manuscripts on multi-epitope monkeypox (MPXV) vaccine design, Marburg virus VP40 inhibition (Ocimum basilicum), and Academic AI Usage & Dependency Scale (AAIUDS) validation, alongside drafting MS thesis articles for journal submission.

Longevity, Stress & Toxicity Pathways

Investigating in vivo antioxidant defense, 37 °C thermal stress survival kinetics at different hours, thrashing locomotion dynamics, solid-media lifespan, and brood size / progeny toxicity in C. elegans.

Bioinformatics & CADD Pipelines

Developing standardized virtual screening, reverse-docking, and network pharmacology workflows at BioPC to accelerate computational natural product drug discovery.

Academic Journey

M.S. in Biochemistry and Molecular Biology

2024 – 2026

University of Chittagong, Bangladesh

Thesis Title: In silico and in vivo study of antioxidant activity of phytochemicals from Houttuynia cordata, a perennial herb using molecular docking and Caenorhabditis elegans model

Supervisors: Dr. Dwaipayan Sikdar & Dr. Suman Mojumder

B.Sc. (Honours) in Biochemistry and Molecular Biology

2019 – 2024

University of Chittagong, Bangladesh

Curriculum Focus: Molecular Biology, Enzymology, Metabolism, Biochemical Techniques, Genetics & Genomics, Immunology, Biophysics, Clinical Biochemistry, and Cell Biology.

Research Experience

Lab Manager & Graduate Research Assistant

Laboratory of Food Bioactives and Molecular Health · University of Chittagong
March 2023 – Present
  • Serving as Lab Manager and Graduate Research Assistant at the unified Laboratory of Food Bioactives and Molecular Health (cu.ac.bd/fbmh), combining the former Laboratory of Applied Biosciences and Laboratory of Food Science and Nutraceutical.
  • Directing comprehensive laboratory operations, reagent inventories, biosafety compliances, and standard operating procedures (SOPs).
  • Culturing and maintaining Caenorhabditis elegans strains; conducting 37 °C thermal stress assays, locomotion assays, lifespan evaluations, and brood size toxicity screenings.
  • Executing phytochemical extractions, solvent fractionation, and quantifying Total Phenolic/Flavonoid Contents (TPC/TFC) from indigenous medicinal plants and seaweed samples.
  • Conducting multi-parameter in vitro antioxidant capacity evaluations including DPPH, ABTS, and FRAP radical scavenging assays.
  • Mentoring undergraduate research students in biosafety compliance, experimental protocols, and data analysis.

Research Project Lead & Founding Member

BioPC — Bioinformatics Lab of Research and Training
2022 – Present
  • Leading computational drug discovery pipelines, receptor-ligand molecular docking (AutoDock Vina, PyRx), and pharmacokinetic evaluations (SwissADME).
  • Co-authoring submitted research manuscripts on multi-epitope monkeypox (MPXV) vaccine design, Marburg virus VP40 matrix protein inhibitors from Ocimum basilicum, and psychometric AI dependency scale (AAIUDS) validation.
  • Constructing compound-target-pathway interaction networks via Cytoscape and STRING databases for network pharmacology investigations.
  • Designing and instructing structured computational biology training curricula, webinars, and hands-on bioinformatics workflows for 110+ student researchers across BioPC cohorts (including the 80+ participant Research Traineeship Program 3.0 and In Silico Innovation).

Teaching & Academic Outreach

Lead Internship Program & Instructor — Bioinformatics Research Internship 4.0

Advanced • Ongoing

BioPC - A Bioinformatics Lab · 4-Month Intensive (2026)

Directing an advanced 4-month research internship spanning 7 comprehensive modules: CADD, Network Pharmacology, Density Functional Theory (DFT), Computer-Aided Vaccine Design (CAVD), Cancer Bioinformatics, and Manuscript Writing. Registration ongoing until 20 Sep 2026.

Lead Instructor — In Silico Innovation: Computer-Aided Drug Design

50+ Students

BioPC Bioinformatics Lab · Feb – Mar 2026

Instructed an intermediate 4-module training course covering structural bioinformatics, AutoDock Vina molecular docking, ADMET profiling, and Cytoscape network pharmacology for 50+ researchers across Bangladesh.

Verified Certificates & Training

December 2025

Computer-Aided Drug Design and Discovery

Learntoupgrade Online (Udemy)

Comprehensive training in computational drug design pipelines, molecular docking algorithms, binding energy analysis, and virtual screening protocols.

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November 2025

Image Analysis using ImageJ

Proteintech

Quantitative biological image processing, thresholding, fluorescence intensity quantification, cell counting, and spatial morphological analysis.

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June 2024

Data Analysis with R Programming

Google (Coursera)

Statistical computing, data wrangling with tidyverse/dplyr, publication-quality data visualization with ggplot2, and data-driven analysis workflows.

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March 2024

Research Internship Program Cohort 4.0

CHIRAL Bangladesh

Hands-on computational genomics, vaccine informatics, sequence alignment, molecular docking simulations, and academic research methodology.

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