PDTDB – Phytochemical and Drug Target Database. An Integrative Structural Database and Properties Prediction Server for Plant Metabolites and Therapeutic Drug Targets

      Аннотация: The PDTDB (Phytochemical and Drug Target DataBase) is an integrated, comprehensive, and open-access online resource for medicinal herbs/natural products, phytochemicals, drug targets, docking results, symptoms and causes of the diseases, and natural remedies to treat the diseases. All entities in the PDTDB are integrated with the related entries to provide more information. The three-dimensional (3D) molecule structure of all phytochemicals and interacting target proteins for each medicinal herbs / natural products can be accessed. Moreover, the related molecular interactions of target and phytochemicals can be predicted. It supports predicting physicochemical properties of sequence and structures, and interactive visualization of structures in various models. The unique feature of PDTDB is the prediction of other plant sources containing the identical phytochemical compound, and phytochemicals involved in molecular docking; which leads to discover novel drug through the protein and phytochemical interaction network. PDTDB is freely and publicly accessible at https://pdt.biogem.org.

Ключевые слова: PDTDB, BIOGEM, Phytochemical Database, Drug Target Database, Plant Database, Integrated Bioinformatics, Docking Database, Integrative Database, Disease Database, Structural Database, Target-Ligand Docking, Computational biology, Drug designing, CADD, BLASTphp, AA-Prot