Semarang – Biotechnology Study Program, Diponegoro University, on Friday, May 20th, 2022 held a Guest Lecturer activity with the topic of Introduction to Molecular Docking and Its Applications. In this event, the speaker was Dr.rer.nat. Arli Aditya Parikesit, S.Si., M.Sc.
Reuse of existing drugs with a bioinformatics approach for the treatment of COVID-19. Dr.rer.nat. Arli Aditya Parikesit, S.Si., M.Sc. conducted a research with the aim of patterning the 3D structure of the SARS Cov-2 protein. This research was intended to utilize an online platform for molecular docking to screen for the best compounds suitable for COVID-19 drugs. The application used was Patchdoc. The highest patchdoc scores of the 7 drugs tested were shown by Lopanavir and Remdesivir with scores above 6000. Thus making this drug the strongest candidate for the treatment of COVID-19.
Then the potential of herbal plants in Indonesia can also be used for the treatment of COVID-19. In his research, Dr.rer.nat. Arli Aditya Parikesit, S.Si., M.Sc. conducted tests with molecular simulations to find specific compounds from turmeric and ginger as candidates for antiviral agents targeting SARS Cov-2. For virtual screening in this research, Autodock Vina was used. Meanwhile, molecular dynamics simulation was carried out to see the stabilization of protein ligands. The results showed that in ginger there was 4-gingerol as the best antiviral candidate from 16 compounds tested.
This event lasted for 2 hours and was followed enthusiastically by more than 150 participants until the end of the event.