Title

PhytoSelectDBT: A database for the molecular models of anti-diabetic targets docked with bioactive peptides from selected ethno-medicinal plants

Authors

Susanta Roy^{1, *}, Robindra Teron² & Raju Nikku Linga¹

Affiliation

¹Department of Life Science, Assam University - Diphu Campus, Diphu, Karbi Anglong, ASSAM – 782 462; ²North Eastern Institute of Ayurveda and Folk Medicine Research (NEIAFMR) Pasighat, East Siang District, Arunachal Pradesh – 791102; *Corresponding author

Email

Susanta Roy – E-mail: susantoroy@gmail.com, susanta.roy@aus.ac.in | ORCiD: https://orcid.org/0000-0001-8163-4141

Robindra Teron – E-mail: robindra.teron@arn.gov.in

N. L. Raju – E-mail: linga.raju.nikku@aus.ac.in

Article Type

Research Article

Date

Received September 1, 2023; Revised September 30, 2023; Accepted September 30, 2023, Published September 30, 2023

It is of interest to assess the effectiveness of bioactive peptides derived from 41 ethno-medicinal plants, classify them according to their anti-diabetic protein targets (DPP-IV, alpha-amylase, alpha-glucosidase, GRK2, GSK3B, GLP-1R, and AdipoR1), and create a web tool named PhytoSelectDBT by using the top seven peptides per target. If one of the target-based medicinal plant suggestions made by PhytoSelectDBT is unsuccessful, alternative target-based possibilities are presented by PhytoSelectDBT for treating the condition and any other related complications. The results provide a useful resource for the management of type 2 diabetes and emphasize the significance of utilising ethnomedical knowledge for the identification of potent anti-diabetic plants and their peptides. We used molecular docking to investigate interactions between anti-diabetic targets (DPP-IV, alpha-amylase, alpha-glucosidase, GRK2, GSK3B, GLP-1R, and AdipoR1) and projected bioactive peptides from 41 ethnomedicinal plants. All bioactive peptides were cross-checked against several databases to determine their allergenicity, toxicity, and cross-reactivity. The presence of B and T cell epitopes was also examined in all simulated digested bioactive peptides for reference. This data is archived at the PhytoselectDBT database.

Keywords

Diabetes, ethnomedicinal plants, antidiabetic protein target, antidiabetic plant peptide, molecular docking, diabetes and its complication management.

Citation

Roy et al. Bioinformation 19(9): 908-917 (2023)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.