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Md-Anisul-Islam/README.md

Md. Anisul Islam

Registered Pharmacist | Computational Drug Discovery Researcher | Bioinformatics Enthusiast

About Me

I am a Bachelor of Pharmacy graduate and researcher interested in computer-aided drug design, molecular docking, molecular dynamics simulation, bioinformatics, and natural product-based drug discovery.

My research focuses on integrating experimental pharmacology with computational approaches for identifying potential therapeutic candidates.

Research Interests

🧬 Computer-Aided Drug Design (CADD)

🧪 Molecular Docking & Virtual Screening

⚛️ Density Functional Theory (DFT)

💻 Molecular Dynamics Simulation

🧬 Network Pharmacology

🧠 Neurodegenerative Disease Research

🎗️ Cancer Biology & Drug Discovery

Publications

Peer-Reviewed Journal Articles

1. Jiko PA, Mohammad M, Richi FT, Islam MA, Alam S, Taher MA, Shao C, Wang S, Geng P, Mamun AA. Anti-inflammatory, analgesic and anti-oxidant effects of shirakiopsis indica (willd). fruit extract: a mangrove species in the field of inflammation research. Journal of Inflammation Research. 2024 Dec 31:5821-54.

🔗 DOI: https://doi.org/10.2147/JIR.S470835


2. Mohammad M, Islam MA, Mamun MJ, Rasel MH, Masum MA, Rabbi SA, Khalil I, Ali ML, Hossen SM. Methanolic extract of edible Lasia spinosa rhizome: a potential natural source of analgesic, diuretic, and thrombolytic agents. Journal of Herbs, Spices & Medicinal Plants. 2025 Jul 3;31(3):381-406.

🔗 DOI: https://doi.org/10.1080/10496475.2025.2500533


3. Islam MA, Chowdhury S, Suma KJ, Mohammad M, Hossain MA, Mamun MJ, Moon NJ, Alam S. Comparative Antimicrobial Profiling of Synedrella nodiflora L. and Spilanthes calva DC. Through Integrated In Vitro, In Silico and Phytochemical Screening Approaches. Bangladesh Pharmaceutical Journal. 2026 Jan 29;29(1):119-33.

🔗 DOI: https://doi.org/10.3329/bpj.v29i1.87385


4. Mohammad M, Moon NJ, Rasel MH, Islam MA, Eshaque NH, Mamun MJ, Hossain MZ, Hasan MM, Chowdhury MT, Hossen SM. Multifaceted Evaluation of Syngonium podophyllum Flower Extracts: Anthelmintic, Antidiabetic, Antipyretic, and Antidiarrheal Potentials via Experimental, In Silico, and DFT Approaches. Food Science & Nutrition. 2026 Apr;14(4):e71701.

🔗 DOI: https://doi.org/10.1002/fsn3.71701


5. Nipa FA, Khatun MR, Jahan I, Islam MS, Khan S, Islam S, Nipa JN, Mohammad M, Islam MA, Dutta T, Chowdhury MM. 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. Journal of Food Biochemistry. 2026;2026(1):3862780.

🔗 DOI: https://doi.org/10.1155/jfbc/3862780


6. Rabbi SA, Hossain MZ, Mamun MJ, Rasel MH, Alim MA, Masum M, Khanam R, Islam MA, Mohammad M, Hossain D. 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. Beni-Suef University Journal of Basic and Applied Sciences. 2026 Dec;15(1):64.

🔗 DOI: https://doi.org/10.1186/s43088-026-00798-z


🛠️ Research Skills & Tools

Computational Drug Discovery

  • Computer-Aided Drug Design (CADD)
  • Molecular Docking
  • Molecular Dynamics (MD) Simulation
  • Virtual Screening
  • Structure-Based Drug Design

Bioinformatics

  • Gene Expression Analysis (GEO)
  • Differential Gene Expression (DEG) Analysis
  • Functional Enrichment Analysis
  • Protein–Protein Interaction (PPI) Network Analysis
  • Network Pharmacology

Computational Chemistry

  • Density Functional Theory (DFT)
  • ADMET Prediction
  • PASS Prediction
  • Molecular Property Analysis

Experimental Pharmacology

  • In Vitro Pharmacological Assays
  • In Vivo Pharmacological Studies
  • Phytochemical Screening
  • Antioxidant, Anti-inflammatory & Analgesic Evaluation

Programming & Data Analysis

  • Python
  • Microsoft Excel

Operating Systems

  • Ubuntu
  • Linux

Software & Platforms

  • Schrodinger Maestro
  • AutoDock Vina
  • PyRx
  • UCSF Chimera
  • Discovery Studio Visualizer
  • PyMol
  • GraphPad Prism
  • GROMACS
  • Gaussian
  • SwissADME
  • PASS Online
  • Cytoscape
  • STRING
  • RStudio
  • Zotero
  • EndNote
  • Mendeley
  • Git & GitHub

Education

Bachelor of Pharmacy (B.Pharm)
BGC Trust University Bangladesh

Professional Experience

1. Product Manager, BrightBrain AI, UK (Remote Job)

2. Senior Officer, Quality Assurance Zenith Pharmaceuticals Ltd.

Connect With Me

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