Computational Study of Asian Propolis Compounds as Potential Anti-Type 2 Diabetes Mellitus Agents by Using Inverse Virtual Screening with the DIA-DB Web Server, Tanimoto Similarity Analysis, and Molecular Dynamic Simulation

• Published in: Molecules (Basel, Switzerland) Vol. 27; no. 13; p. 3972
• Main Authors: Syaifie, Putri Hawa, Harisna, Azza Hanif, Nasution, Mochammad Arfin Fardiansyah, Arda, Adzani Gaisani, Nugroho, Dwi Wahyu, Jauhar, Muhammad Miftah, Mardliyati, Etik, Maulana, Nurwenda Novan, Rochman, Nurul Taufiqu, Noviyanto, Alfian, Banegas-Luna, Antonio J., Pérez-Sánchez, Horacio
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 21.06.2022; MDPI
• Subjects: Aldehyde Reductase; Asian People; Binding sites; Dehydrogenases; DIA-DB; Diabetes; Diabetes Mellitus, Type 2 - drug therapy; Disease; Drugs; Fatty acids; Flavonoids; Glucagon; Glucose; Herbal medicine; Homeostasis; Humans; in silico; Insulin Resistance; Kinases; Lipids; Medicine; Metabolism; molecular dynamic; Molecular Dynamics Simulation; propolis; Propolis - chemistry; Proteins; Retinol-Binding Proteins, Plasma; type-2 diabetes mellitus; virtual screening; Asia; propolis; DIA-DB; in silico; virtual screening; molecular dynamic; type-2 diabetes mellitus

Propolis contains a wide range of pharmacological activities because of their various bioactive compounds. The beneficial effect of propolis is interesting for treating type-2 diabetes mellitus (T2DM) owing to dysregulation of multiple metabolic processes. In this study, 275 of 658 Asian propolis co...