FDIGA (Flavonoids as Dual-target Inhibitors against α-Glucosidase and α-Amylase: a Systematic Review of in vitro studies)
This repository contains the supplementary datasets for the systematic review on flavonoids dual-target inhibitors of α-glucosidase and α-amylase. The datasets were queried from six databases (PubMed, Virtual Health Library, EMBASE, SCOPUS, Web of Science, and WHO Global Index Medicus) as of August 2022.
The prevalence of diabetes mellitus continues to escalate, posing a significant health burden with increasing incidence and mortality rates. In response, there has been a growing focus on identifying safe and effective phytochemicals as potential therapeutic agents. Flavonoids have garnered considerable attention due to their reported in vitro inhibitory effects on α-glucosidase and α-amylase, key enzymes involved in starch digestion. However, despite the wealth of literature on flavonoids' potential to modulate these enzymes, there remains a lack of comprehensive data collection and discussion on this subject.
Our systematic review aims to bridge this gap by providing a comprehensive overview of the inhibitory activity of flavonoids against α-glucosidase and α-amylase. Following the PRISMA guidelines and CONSORT quality assessment checklist, we extensively searched six scientific databases and meticulously analyzed 339 articles. This process enabled us to curate a database comprising 1643 flavonoid structures and 974 unique compounds, each associated with their standardized SMILES representation. For each entry, we reported the corresponding IC50 value in comparison to the acarbose control, along with information on their origins, testing methods, and underlying mechanisms of inhibition. We believe that our curated dataset could serve as a resource for future ligand-based QSAR studies, thereby facilitating the discovery of natural product-based drugs targeting α-glucosidase inhibition while minimizing side effects associated with α-amylase.
The repository is organized as follows:
Supplementary file 2 - Data of presented compounds.xlsx: Contains the dataset of 177 flavonoids presented in the manuscript.Supplementary file 3 - Full database.xlsx: Contains the dataset of inhibitory activity of 1643 flavonoid entries after the standardization.Notebooks: Jupyter notebooks used in the systematic review.
To access the datasets, you can clone the repository to your local machine using the following command:
git clone https://github.com/MedChemUMP/FDIGA.git
A preprint of the review paper has been deposited on ChemRxiv server at: 10.26434/chemrxiv-2023-cdlf8-v3
If you use these datasets in your research or publications, please cite us as:
Lam T-P, Tran N-VN, Pham L-HD, et al. Flavonoids as dual-target inhibitors against α-glucosidase and α-amylase: a systematic review of in vitro studies. Natural Products and Bioprospecting. 14, 4 (2024). https://doi.org/10.1007/s13659-023-00424-w
Also consider citing our research article in this field:
Mai TT, Phan MH, Thai TT, Lam T-P, et al. Discovery of novel flavonoid derivatives as potential dual inhibitors against α-glucosidase and α-amylase: virtual screening, synthesis, and biological evaluation. Molecular diversity. (2023); https://doi.org/10.1007/s11030-023-10680-0