S Y N A P S E

SCHOLAR

Welcome to My Research Portfolio

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.

1+
Years Of Research Experience
1+
Research Projects Completed
1
Publications
1
Manuscripts Under Review
1
Ongoing Research Projects
1+
Research Tools
About me

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)

Make A Call

+8801984121827

Follow My Research Profile

ORCID

ORCID

Google Scholar

Google Scholar

Web of Science

ResearchGate

Researchgate

GitHub

GitHub

LinkedIn

Professional Timeline

Professional Experience

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2025 - Present

Product Manager

Brightbrain AI Ltd, UK, (Remote)
2024 - 2025

Senior Officer, Quality Assurance

Zenith Pharmaceuticals Ltd. BSCIC, Feni Bangladesh
2022 - 2024

Officer, Quality Assurance

Premier Pharmaceuticals Ltd, BSCIC, Noakhali, Bangladesh
2021 - Present

Computational Research Fellow

BGC Trust University Bangladesh
Research & Professional Expertise

Computational Drug Discovery, Bioinformatics, Scientific Research & Pharmaceutical Quality

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01

Computational Drug Discovery

02

Research & Scientific Writing

03

Bioinformatics Analysis

04

AI & Digital Solutions

05

Training & Mentorship

06

Pharmaceutical Quality Assurance

My Skills

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.

My Portfolio

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 Prediction

Predicting 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 Modeling

Performing quantum chemical calculations to investigate molecular geometry, electronic properties, frontier molecular orbitals (HOMO–LUMO), molecular electrostatic potential, and chemical reactivity.

Networking

Systems Pharmacology

Exploring complex interactions among compounds, targets, pathways, and diseases to uncover multi-target therapeutic mechanisms using bioinformatics and systems biology approaches.

MD Simulation

Computational Biophysics

Investigating the stability, flexibility, and dynamic behavior of biomolecular systems through molecular dynamics simulations to validate protein–ligand interactions over time.

ADMET

Pharmacokinetic Profiling

Assessing 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 & Visualization

Analyzing biological and pharmaceutical datasets using statistical methods and visualization techniques to generate meaningful insights and support evidence-based research.

Manuscript Writing

Scientific Research & Publication

Preparing high-quality scientific manuscripts, systematic reviews, research articles, and graphical presentations while ensuring clarity, accuracy, and journal publication standards.

Pharma Experience

Pharmaceutical Manufacturing & Quality Management

This 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
Research

Publications

Peer-reviewed journal articles covering pharmacology, natural products, computational drug discovery, molecular docking, Density Functional Theory DFT, MD Simulation, network pharmacology, and bioinformatics.

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🏆 Q2 SCI-E

🏆 Q1 SCI-E

01

📄 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

02

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

03

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

🏆................

04

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

05

Methanolic extract of edible Lasia spinosa rhizome: a potential natural source of analgesic, diuretic, and thrombolytic agents

🎓 Mohammad M, Islam MA, Mamun MJ, et al.
📖 Journal of Herbs, Spices & Medicinal Plants.
📅 2025 Jul 3;31(3):381-406.
🔗 DOI: 10.1080/10496475.2025.2500533

🏆 Q2 SCI-E

06

Anti-inflammatory, analgesic and anti-oxidant effects of shirakiopsis indica (willd). fruit extract: a mangrove species in the field of inflammation research

🎓 Jiko PA, Mohammad M, Richi FT, Islam MA, et al.
📖 Journal of Inflammation Research
📅 2024 Dec 31:5821-54.
🔗 DOI: 10.2147/JIR.S470835

🏆................

07

Antibiotic Cefepime with Antacid, Metal Complexation studied by UV Spectrophotometrically in addition to Exploration of Antimicrobial Activity

🎓 Uddin MN., Islam MA, Akter S., et al.
📖 J. Pharmaceutics and Pharmacology Research.
📅 (2020), Nov. 17; 3(3)
🔗 DOI: 10.31579/2693-7247/019

Manuscripts

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

01

📄 Preliminary in vitro, in vivo, and in silico screening of Mangifera sylvatica Roxb. leaf extract and fractions for anti-inflammatory, clot-lysis, antinociceptive, and glucose-lowering activities

🎓 Akter S,.. Islam MA, et al.
📖 Journal of Food Science & Nutrition.
📅 Jun 20, 2026

02

📄 Pharmacological profiling of Jatropha gossypifolia fruit methanolic extract: In vivo, in vitro, and in silico approaches", to Chemistry & Biodiversity

🎓 Mohammad M, .., Islam MA, et al.
📖 Journal of Chemistry & Biodiversity.
📅 Jun 05, 2026,

🏆 Q2 SCI-E

03

📄 Luteolin-7-O-Glucoside as a Potential Multi-Target Therapeutic Molecule for Alzheimer’s Disease, Parkinson’s Disease, and Diabetic Peripheral Neuropathy: An Integrated In Silico Study

🎓 Islam MA, Akter NA. et al.
📖 Journal of Food Science & Nutrition.
📅 July 10, 2026

............................

04

📄 New Method Development and Validation for the Quantification of Sildenafil Citrate in Both Raw Material and Pharmaceutical Tablet Formulation by Using UV-Visible Spectrophotometer

🎓 Chowdhury S., Islam MA, et al.
📖 Journal of Pharmacy Practice.
📅 July 15, 2026

Ongoing

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.

01

📄 Integrated In Vitro, In Vivo, and In Silico Evaluation of the Pharmacological Potential of Mangifera sylvatica Roxb. (Himalayan Mango) Leaf Extract and Its Solvent Fraction: A GC-MS and DFT-Based Approach

🎓 Islam MA, Moon NJ. et al.

02

📄 Systems-Level Investigation of the Multi-Target Mechanisms of Baicalin in Alzheimer’s Disease, Type 2 Diabetes, and Cardiovascular Disease: An Integrated Network Pharmacology, Molecular Docking, DFT, and ADMET Study

🎓 Islam MA, Akter NA. et al.

03

📄 Neuropharmacological Evaluation of Amaranthus blitum Leaf Extract in Mice: Anxiolytic, Sedative, Antidepressant and Cognitive Enhancing Activities.

🎓 Chowdhury T, Nipa FA, Islam MA, et al.

My Certificates

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Training On:
"Drug Discovery and Design"

Training On:
Computer Aided Drug Design

Statistical Considerations for Premarketing Risk Assessment Webinar

My Journey & Memories

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First meet with Dr Mahmood
Managing Director "BrightBrain AI Ltd."

Asia Pharma Expo 2025:
Industry Engagement

Lab work on
BGC Trust University Bangladesh

Get In Touch

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)