α-Glucosidase inhibitory activity of cannabidiol, tetrahydrocannabinol and standardized cannabinoid extracts from Cannabis sativa

Application of artificial intelligence in the development of Jamu “traditional Indonesian medicine” as a more effective drug

“…Meanwhile, Molecular Docking assesses chemical compounds' interaction with proteins or biological targets in traditional herbal medicine. This modeling method can speed up the development of bioactive compounds that act as ligands at a lower cost than conventional methods (Scior, 2021;Suttithumsatid et al, 2022).…”

“…After identifying the bioactive structure, the next step is to evaluate ADMET using SwissADME (http://www.swissadme.ch/). SwissADME is a computational-based prediction platform that evaluates drug compounds in terms of their pharmacokinetic and toxicological profiles (Suttithumsatid et al, 2022). ADMET modeling for new compounds can also be done using the ML approach-predictive models developed with neural networks, RF, and SVM systems.…”

“…oup.com/journals/), and Pubchem (https://pubchem.ncbi.nlm.nih. gov/) (Chen et al, 2022;Suttithumsatid et al, 2022). Another database that can be used is the Protein Databank (PDB), an open database with information related to the molecular structure of proteins, nucleic acids, and biological complexes from the results of previous studies (Suttithumsatid et al, 2022).…”

“…gov/) (Chen et al, 2022;Suttithumsatid et al, 2022). Another database that can be used is the Protein Databank (PDB), an open database with information related to the molecular structure of proteins, nucleic acids, and biological complexes from the results of previous studies (Suttithumsatid et al, 2022). The Indonesian database that contains information on compounds related to Jamu is HerbalDB (Erlina et al, 2022).…”

Grifolamine A, a novel bis-γ-butyrolactone from Grifola frondosa exerted inhibitory effect on α-glucosidase and their binding interaction: Affinity and molecular dynamics simulation

“…Inhibiting α-glucosidase can not only delay the hydrolysis of carbohydrates into saccharides which were absorbed into blood, thereby controlling postprandial blood glucose, but also protect the islet β cell function and alleviate T2DM and associated complications ( Luis Ros, Francini and Schinella, 2015 ; Sun and Miao, 2020 ). Acarbose, an α-glucosidase inhibitor, has been used as the first-line medicine for the treatment of T2DM, especially for patients who consumed a high-carbohydrate diet, however, the side effects on gastrointestinal digestion restricted its long-term use ( Suttithumsatid et al, 2022 ). Thus, searching for safer inhibitors suitable for long-term use is urgent.…”