University of Chittagong

Md. Mustak Khan

Researcher in Phytomedicine

B.Sc. (Honours) & M.S. in Biochemistry and Molecular Biology, University of Chittagong, Bangladesh. Working across experimental wet-lab biology and computational drug discovery.

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Lab Manager & Researcher

2 Q1 Articles Nature · Wiley

CADD & MD Antiviral Discovery

C. elegans In Vivo Model

2 Peer-Reviewed Articles (Q1 Journals)

3+ Research Focus Areas

8+ Academic Milestones

110+ Students Trained via BioPC

Highlights

Latest News & Updates

Recent academic accomplishments, published research, and project milestones.

September 2026

Original Research Published in Nature (Scientific Reports)

A multi-level computational analysis identifies Ocimum basilicum phytochemicals as potent inhibitors of the Marburg virus VP40 matrix protein published in Scientific Reports (DOI: 10.1038/s41598-026-71976-3).

March 2026

Review Paper Published in Wiley

Molecular Pharming: Advances, Applications, and Future Prospects in Biotechnology and Medicine published in Engineering in Life Sciences (DOI: 10.1002/elsc.70075).

2025 – 2026

MS Thesis Research Completed

Completed flagship thesis: "In silico and in vivo study of antioxidant activity of phytochemicals from Houttuynia cordata, a perennial herb using molecular docking and Caenorhabditis elegans model."

2026

Two Manuscripts Under Review (BioPC)

Co-authored research under review on multi-epitope monkeypox (MPXV) vaccine design and psychometric validation of the Academic AI Usage & Dependency Scale (AAIUDS).

Aug – Sep 2026

Bioinformatics Research Internship 4.0 Launched

Leading a 4-month advanced research internship at BioPC covering CADD, DFT, CAVD vaccine design, cancer bioinformatics, and manuscript writing. Registration deadline: 20 Sep 2026. Learn more →

About

Who I Am

A brief introduction to my scientific journey, background, and multidisciplinary focus.

Md. Mustak Khan — Researcher in Biochemistry, Molecular Biology, Phytomedicine, and Bioinformatics at the University of Chittagong.

I serve as Lab Manager and Graduate Research Assistant at the Laboratory of Food Bioactives and Molecular Health (March 2023 – Present), overseeing operations, mentoring students, and executing in vivo C. elegans assays (37 °C thermal survival across hours, thrashing locomotion, lifespan curves, and brood size toxicity checks). Concurrently, I serve as a founding member and Research Project Lead at BioPC, where I develop computational drug discovery pipelines, lead training workshops in CADD and network pharmacology, and build digital tools for the scientific community.

My flagship MS thesis investigated the antioxidant activity and therapeutic potential of phytochemicals from Houttuynia cordata (a perennial herb) by integrating in silico molecular docking with comprehensive in vivo longevity, 37 °C thermal survival, thrashing locomotion, and brood size toxicity evaluation in Caenorhabditis elegans.

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Milestones

Academic & Research Journey

Chronological milestones in education, leadership, and research discoveries.

STEP 012019 – 2024

B.S. in Biochemistry & Molecular Biology

University of Chittagong, Bangladesh

Completed 4-year undergraduate degree with comprehensive laboratory training in cellular biochemistry, enzymology, molecular genetics, microbiology, and biochemical toxicology.

Undergraduate

STEP 022022 – Present

Founding Member & Research Project Lead

BioPC — Bioinformatics Lab of Research and Training

Spearheading computational drug design, immuno-informatics for epitope-based vaccines, pan-cancer genomics, and mentoring students in computational biology workflows.

Bioinformatics Leadership

STEP 03March 2023 – Present

Lab Manager & Graduate Research Assistant

Laboratory of Food Bioactives and Molecular Health · University of Chittagong

Managing laboratory operations, chemical inventories, and biosafety protocols (merging the former Laboratory of Applied Biosciences & Laboratory of Food Science and Nutraceutical). Executing C. elegans genetics, longevity assays, fluorescence microscopy, and bioactive nutraceutical antioxidant evaluations.

Lab Management Research

STEP 042024 – 2025

Research Intern & aiHealth Lab

CHIRAL Bangladesh

Gained hands-on experience in computational genomics, vaccine design, sequence alignment, and the applications of AI and machine learning in biomedical and healthcare research.

Internship

STEP 052024 – 2026

M.S. in Biochemistry & Molecular Biology

University of Chittagong, Bangladesh

Pursuing graduate research centered on the interdisciplinary evaluation of medicinal plant extracts using C. elegans model genetics, spectrophotometric assays, and computational drug discovery.

Graduate

STEP 062025 – 2026

Flagship MS Thesis Research

Laboratory of Food Bioactives and Molecular Health · University of Chittagong

Carried out thesis: "In silico and in vivo study of antioxidant activity of phytochemicals from Houttuynia cordata, a perennial herb using molecular docking and Caenorhabditis elegans model."

Thesis

STEP 07March 2026

Peer-Reviewed Review Publication

Engineering in Life Sciences, Wiley-VCH

Published review article on molecular pharming and biopharmaceuticals in Engineering in Life Sciences (Wiley), bridging plant biotechnology with modern translational medicine.

Publication

STEP 08September 2026

Original Research Published in Nature Portfolio

Scientific Reports, Nature Portfolio / Springer Nature

Published peer-reviewed original research identifying Ocimum basilicum phytochemicals as potent inhibitors of Marburg virus VP40 protein via multi-level computational biology and 500 ns MD simulations.

Publication Nature Portfolio

Competencies

Skills & Core Competencies

Proficiencies across experimental wet-lab biology, computational CADD, data science, and academic outreach.

Wet-Lab Research

C. elegans culture & lifespan assays, fluorescence microscopy, phytochemical extraction, and in vitro antioxidant assays (DPPH/ABTS/FRAP).

Proficiency88%

Computational Biology

AutoDock Vina, PyRx, SwissADME, Discovery Studio, Cytoscape, STRING, and network pharmacology target prediction pipelines.

Proficiency92%

Data Analysis & Tools

Python, R programming, tidyverse/ggplot2, statistical modeling, ImageJ biological image analysis, and Git/GitHub.

Proficiency85%

Scientific Writing

Peer-reviewed manuscript writing, literature synthesis, thesis drafting, citation management, and academic presentation.

Proficiency90%

Teaching & Mentorship

Curriculum design, hands-on workshop facilitation, student mentorship, and bio-community leadership via BioPC.

Proficiency95%

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Research

Research Areas

Interdisciplinary investigations across phytochemical nutraceuticals, computational biology, and in vivo model systems.

Flagship Project · MS Thesis

In Silico and In Vivo Study of Antioxidant Activity of Phytochemicals from Houttuynia cordata

A Perennial Herb Using Molecular Docking and Caenorhabditis elegans Model

Molecular Docking C. elegans Model Houttuynia cordata Phytochemicals In Silico & In Vivo

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Nutritional & Phytomedicine Research

Phytochemical extraction, total phenolic/flavonoid profiling, and multi-assay antioxidant evaluations of indigenous plant samples.

Bioinformatics, CADD & AI

Leading multi-epitope vaccine design (Monkeypox MPXV), antiviral drug discovery (Marburg virus VP40 inhibitors), psychometric AI scale modeling (AAIUDS), and network pharmacology via BioPC Lab.

In Vivo Model Assays (C. elegans)

Conducting 37 °C thermal stress survival assays across different hourly timepoints, thrashing assays for locomotion movement, solid-media lifespan curves, and brood size / progeny toxicity screening.

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Publications

Recent Publications

Peer-reviewed contributions in leading scientific and biotechnology journals.

Open Access Research Nature Portfolio · Q1

A multi-level computational analysis identifies Ocimum basilicum phytochemicals as potent inhibitors of the Marburg virus VP40 matrix protein

MF Rahman, MM Khan, MH Ahmed, S Dutta, FN Tapti, ...et al.

Scientific Reports | Nature Portfolio / Springer Nature

Published: 25 September 2026

DOI: 10.1038/s41598-026-71976-3

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Peer-Reviewed Review Wiley-VCH · Q1

Molecular Pharming: Advances, Applications, and Future Prospects in Biotechnology and Medicine

MH Ahmed, MM Khan*, S Dutta, MF Rahman, ...et al.

Engineering in Life Sciences | Wiley-VCH Verlag GmbH & Co. KGaA

Published: 12 March 2026

DOI: 10.1002/elsc.70075

Download PDF View Article

View All Publications →

Get In Touch

Connect & Collaborate

Open for research collaborations, academic exchanges, and computational biology projects.

mustakkhan.bmb@std.cu.ac.bd

I welcome research collaborations, student inquiries, speaking invitations, and peer discussions. Reach out directly or connect across academic platforms.

Status: Open to collaborative research projects and computational workflows.

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