Computational Phytochemistry

Prof Satyajit Sarker, the Editor-in-Chief of Phytochemical Analysis, and the former President of the Phytochemical Society of Europe (2018-20), is the Director of School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University. He has recently been awarded with an Honorary Professorship at the University of East Anglia (2020-24). He obtained BPharm (Hons) and MPharm degrees from Dhaka University, and completed his PhD in Phytochemistry from Strathclyde University, Glasgow, UK. His research focuses on anticancer, anti-inflammatory, antimalarial, antimicrobial, chemopreventive and wound-healing properties of phytochemicals. Prof Sarker is in the Editorial Board of >35 international journals. Dr Lutfun Nahar, Chemistry honors graduate from Exeter University, obtained her PhD in Organic and Medicinal Chemistry from Aberdeen University. She is the Managing Editor of Phytochemical Analysis, a reviewer of 30 international journals, and in the Editorial Board of 15 international journals. She has published 360 scientific papers, reviews, books and book chapters in the area of Synthetic Organic Medicinal and Natural Products Chemistry. Her research interest includes several aspects of Medicinal and Natural Products Chemistry.

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• 1. Computational phytochemistry: An overview2. Response surface methodology in phytochemical research3. Prediction of medicinal properties using mathematical models and computation, and selection of plant materials4. Optimisation of extraction using mathematical models and computation5. Application of computational methods in isolation of plant secondary metabolites6. Application of computation in creating dereplicated phytochemical libraries7. Application of computational methods in high throughput screening of phytochemicals8. Prediction of structure based on spectral data using computational techniques9. Application of mathematical models and computation in plant metabolomics10. Application of computation in the study of biosynthesis of phytochemicals11. Computational aids for assessing bioactivities12. Computational approaches to phytochemical drug discovery13. Virtual screening of phytochemicals14. Predictive toxicology of phytochemicals15. Network pharmacology in phytochemical research