Dr. Nonthaneth Nalinratana from Chulalongkorn University, Thailand, at the invitation of Taizhou University, gave on July 26th an academic lecture titled “In silico screening of natural compounds” for the Nano-biomaterials and Immunology team at the School of Life Sciences of Taizhou University. The lecture was hosted by Professor Zhao Kai, Dean of the school and team PI.
Faculty and students attending the academic lecture
Dr. Nonthaneth Nalinratana first briefly introduced his team’s research progress in the field of artificial intelligence. Subsequently, focusing on computer-aided strategies for natural product drug discovery, he elaborated on two core aspects: target-based screening and compound target prediction. In his explanation, he not only systematically described the principles of both but also detailed the specific applications of related software tools: Deep Learning-enhanced virtual screening involving tools like DeepDock and GNINA; molecular docking-based virtual screening involving tools like AutoDock/AutoDock Vina, PyRx, and SwissDock, along with their specific operational procedures. To illustrate the application of these strategies, Dr. Nonthaneth Nalinratana provided an in-depth explanation of the research case “Screening for Carbon Anhydrase IX (CAIX) Inhibitors from Natural Products.” He also introduced commonly used database resources in virtual screening, including chemical libraries, traditional Chinese medicine databases, and compound screening criteria.
Dr. Nonthaneth Nalinratana delivering his academic lecture
Towards the end of the lecture, faculty and students actively asked questions, engaging in in-depth discussions with Dr. Nonthaneth Nalinratana on key issues such as the selection criteria for protein binding pockets and the parameter settings for the scope of active sites (Box).
Expert Profile:
Dr. Nonthaneth Nalinratana, Lecturer at Chulalongkorn University, member of the Excellence Center for Natural Products against Aging and Chronic Diseases, Chulalongkorn University.
He obtained a Bachelor of Pharmacy (2009), Master of Pharmacy (2013), and Ph.D. in Biomedical Chemistry (2019) from Chulalongkorn University.
His current research spans various areas including immuno-oncology, molecular targeted therapy, immunopharmacology, and natural product drug discovery, integrating artificial intelligence with advanced in vitro studies. His work has received funding from projects such as those from the National Research Council of Thailand (NRCT).
Dr. Nalinratana has published articles in multiple SCI journals including Carbohydrate Polymers, European Journal of Medicinal Chemistry, and Phytochemistry, and holds several international patents.
