Md. Anisul Islam
Computational Drug Discovery & Bioinformatics Researcher
Registered Pharmacist and Pharmaceutical Quality Assurance professional specializing in computational drug discovery, molecular docking, molecular dynamics, DFT, bioinformatics, and AI-assisted pharmaceutical research. Passionate about integrating computational and experimental approaches to accelerate therapeutic discovery.
Years Of Research Experience
Research Projects Completed
Publications
Manuscripts Under Review
Ongoing Research Projects
Research Tools
Education & Research Background
- B.Pharm. (CGPA: 3.90/4.00)
- Registered Pharmacist (Reg. No. A-18515)
- English Medium of Instruction
Research Interests
- Computer-Aided Drug Design (CADD)
- Computational Pharmacology
- Cancer Biology & Pharmacogenomics
- Neurobiology and Neurodegenerative Diseases
- Multi-Omics Data Integration
- Bioinformatics and Computational Biology
Research Skills
- Computational Drug Discovery
- In Vitro, In Vivo & In Silico Research
- Molecular Docking & MD Simulation
- Bioinformatics & Transcriptomic Analysis
- Scientific Writing & Publication
- Density Functional Theory (DFT)
- Pharmaceutical Quality Assurance (GMP)
Professional Experience
Product Manager
Brightbrain AI Ltd, UK, (Remote)Senior Officer, Quality Assurance
Zenith Pharmaceuticals Ltd. BSCIC, Feni BangladeshOfficer, Quality Assurance
Premier Pharmaceuticals Ltd, BSCIC, Noakhali, BangladeshComputational Research Fellow
BGC Trust University BangladeshComputational Drug Discovery, Bioinformatics, Scientific Research & Pharmaceutical Quality
Computational Scientific Tools & Platforms
Software, Databases & Frameworks Used in My Research
Harnessing top-tier computational modeling tools—including GROMACS, PyMOL, AutoDock, and Cytoscape—to unravel complex biological networks and simulate macromolecular interactions. Bridging advanced in silico techniques with rigorous analytical precision to drive groundbreaking research.
Explore My Research Overview
Leveraging advanced computational and bioinformatics tools to support high-quality pharmaceutical and biomedical research. Experienced in molecular docking, molecular dynamics simulation, network pharmacology, bioinformatics, DFT studies, scientific writing, and AI-assisted research workflows for publication-ready outcomes.
Docking
Protein–Ligand Binding PredictionPredicting Protein - Ligand interactions through molecular docking to identify potential drug candidates, evaluate binding affinity, analyze binding modes, and support structure-based drug discovery.
DFT
Quantum Chemical ModelingPerforming quantum chemical calculations to investigate molecular geometry, electronic properties, frontier molecular orbitals (HOMO–LUMO), molecular electrostatic potential, and chemical reactivity.
Networking
Systems PharmacologyExploring complex interactions among compounds, targets, pathways, and diseases to uncover multi-target therapeutic mechanisms using bioinformatics and systems biology approaches.
MD Simulation
Computational BiophysicsInvestigating the stability, flexibility, and dynamic behavior of biomolecular systems through molecular dynamics simulations to validate protein–ligand interactions over time.
ADMET
Pharmacokinetic ProfilingAssessing absorption, distribution, metabolism, excretion, and toxicity profiles to evaluate drug-likeness, pharmacokinetic behavior, and safety during early-stage drug discovery.
Data Analysis & Visualization
Data Interpretation & VisualizationAnalyzing biological and pharmaceutical datasets using statistical methods and visualization techniques to generate meaningful insights and support evidence-based research.
Manuscript Writing
Scientific Research & PublicationPreparing high-quality scientific manuscripts, systematic reviews, research articles, and graphical presentations while ensuring clarity, accuracy, and journal publication standards.
Pharma Experience
Pharmaceutical Manufacturing & Quality ManagementThis infographic illustrates the interconnected operational workflow within a pharmaceutical manufacturing facility, highlighting the seamless collaboration between Production, Quality Assurance (QA), and Quality Control (QC) to ensure cGMP compliance and patient safety.
Research Impacts
Research metrics aggregated from Google Scholar, Scopus, and ResearchGate, reflecting the visibility, citation performance, and academic influence of my published research.
ResearchGate
- 📄 Documents 10
- 📝 Citations 56
- 📊 h-index 2
- ⭐ Research Interest 38
Google Scholar
- 📄 Documents 9
- 📝 Citations 54
- 📊 h-index 2
- 🏆 i10-index 2
Scopus
- 📄 Documents 5
- 📝 Citations 43
- 📊 h-index 2
Publications
Peer-reviewed journal articles covering pharmacology, natural products, computational drug discovery, molecular docking, Density Functional Theory DFT, MD Simulation, network pharmacology, and bioinformatics.
🏆 Q2 SCI-E
🏆 Q1 SCI-E
📄 Journal Article: Assessment of antioxidant, anti-inflammatory, and analgesic potentials of Philodendron hederaceum leaf methanolic extract: an integrated in vitro, in vivo, and in silico approach with GC-MS/MS analysis.
🎓 Rabbi SA,.. Islam MA, et al.
📖 Beni-Suef University Journal of Basic and Applied Sciences.
📅 2026 Dec;15(1):64.
🔗 DOI: 10.1186/s43088-026-00798-z
Biological Evaluation of Swintonia floribunda Leaf Extract Through Integrated GC‐MS, In Vivo, In Vitro, and In Silico Approaches Targeting Diarrhea, Pain, Fever, and Inflammation.
🎓 Nipa FA, Khatun MR, .., Islam MA, et al.
📖 Journal of Food Biochemistry.
📅 2026(1):3862780.
🔗 DOI: 10.1155/jfbc/3862780
🏆 Q2 SCI-E
Multifaceted Evaluation of Syngonium podophyllum Flower Extracts: Anthelmintic, Antidiabetic, Antipyretic, and Antidiarrheal Potentials via Experimental, In Silico, and DFT Approaches.
🎓 Mohammad M, Moon NJ, Rasel MH, Islam MA, et al.
📖 Journal of Food Science & Nutrition.
📅 2026 Apr;14(4):e71701.
🔗 DOI: 10.1002/fsn3.71701
🏆................
Comparative Antimicrobial Profiling of Synedrella nodiflora L. and Spilanthes calva DC. Through Integrated In Vitro, In Silico and Phytochemical Screening Approaches.
🎓 Islam MA, Chowdhury S, Suma KJ, et al.
📖 Bangladesh Pharmaceutical Journal.
📅 2026 Jan 29;29(1):119-33.
🔗 DOI: 10.3329/bpj.v29i1.87385
🏆 Q2 SCI-E
🏆 Q2 SCI-E
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Under Review
Manuscripts currently under peer review or editorial evaluation, reflecting ongoing contributions to pharmaceutical sciences, computational biology, and drug discovery research.
🏆 Q2 SCI-E
🏆 Q1 SCI-E
🏆 Q2 SCI-E
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Research Projects
Ongoing research projects under active development, including experimental and computational studies in pharmacology, natural products, molecular docking, MD simulation, DFT, network pharmacology, bioinformatics, and AI-assisted drug discovery.
Let’s Talk For more Info
I’m always open to research collaborations, academic partnerships, consulting opportunities, and professional discussions in pharmaceutical sciences, bioinformatics, computational drug discovery, and artificial intelligence.
- Research Collaboration Worldwide
- Academic & Industry Partnerships
- Fast Response (24–48 Hours)





