Arash Kazemi
Medicinal & Computational Chemistry • Drug Design • DFT & Molecular Modeling
Research Interests
- Medicinal chemistry and drug design, with focus on SAR (structure–activity relationships), bioisosteric replacements, and lead optimization
- Computational pharmaceutical chemistry, including molecular docking, DFT calculations, and reaction mechanism simulations
- Organic and heterocyclic synthesis of biologically active and therapeutically relevant molecules
- Forensic chemistry and toxicological analysis, including identification and quantification of controlled substances, poisons, and trace evidence
- Spectroscopic and analytical techniques (UV-Vis, IR, NMR, GC, HPLC) for characterization of drug and forensic samples
- Rational design of therapeutic and forensic-relevant molecules, integrating synthetic strategies with computational modeling
Academic Highlights
- 🎓 Ranked 1st among 100+ Pure Chemistry students at IUT
- 🧪 2 published research articles in electrochemical synthesis & DFT mechanism analysis
- 💡 Expertise in DFT, molecular docking, SAR, and drug design
- 🔬 Hands-on experience with spectroscopic & analytical techniques (UV-Vis, IR, NMR, GC, HPLC)
- 👨🏫 Teaching experience: Chemistry Olympiad & IELTS speaking instructor
- 👥 Leadership roles: Editor-in-Chief of Erlen-e-Khakestari & Scientific Association Secretary
Selected Publications
- Diastereoselective Electrochemical Coupling of β-Nitrostyrenes Using Constant-Current Conditions — React. Chem. Eng., 2025. DOI: 10.1016/j.rechem.2025.102116
- DFT Study of the Possible Mechanisms for Synthesizing α-Cyanophosphonates from β-Nitrostyrenes — Advanced Theory and Simulations, 2025. DOI: 10.1002/adts.202500379