Structural Variability Information Analysis Platform for Drug Transporters (VARIDT 2.0)

The efficacy and toxic side effects of drugs after entering the body are largely determined by their complex interactions with drug targets, transporters, metabolic enzymes and other molecules.

Current drug research usually focuses only on the interaction between drugs and specific types of molecules, ignoring the comprehensive consideration
of their interaction with multiple types of molecules.
In other words, the one-sided understanding of drug-molecule interaction maps severely limits current new drug discovery and rational drug use
.
Therefore, systematic and accurate mapping of drug-molecule interactions is essential for drug design, drug retargeting, drug-drug interaction (DDI) prediction, and multidrug resistance research.

In October 2022, Professor Zhu Feng and Professor Zeng Su of Zhejiang University and Professor Chen Yuzhang of Tsinghua University published the "drug-" for all drugs in Nucleic Acids Research, an important journal in the field of biomedicine Molecular Interaction Atlas" and developed DrugMAP, the world's first data platform to describe this type of atlas.

The platform describes the full range of interactions between more than 30,000 drugs and more than 5,000 biomolecules
.
Under the premise of emphasizing clinical value, the largest drug-molecule interaction map
is constructed.
With the deepening of the application of AI technology in the field of pharmacy, drug-centered heterogeneous interaction network is considered to be the basic data urgently needed for the development of AI pharmacy, and has important application value
.

The ultimate efficacy and safety of a drug depends on its multi-dimensional interaction with different types of molecules, and only by comprehensively considering the multi-dimensional interaction mode from a holistic perspective can we truly understand the principle and mechanism
of drug onset and failure.
In this project, researchers systematically confirmed for the first time more than 40,000 drug-target interaction information that plays a leading role in drug efficacy and drug resistance.
It integrates more than 6,000 drug-molecule interaction information that plays a key role in the ADME process of drugs.
Based on the systematic annotation and classification of FDA drug labels, more than 20,000 preparation information is provided; More than 130,000 mechanistic data
on drug-drug interactions were obtained.
The researchers also further explored the differential expression patterns of drug interaction molecules at the lesion site and the differences
in the expression of ADME organs and different physiological parts in healthy individuals.
All data is visualized
in an intuitive and interactive way.

Dr.
Li Fengcheng and Dr.
Yin Jiayi of the School of Pharmacy, Zhejiang University are the co-first authors of the study, and Professor Zhu Feng and Professor Zeng Su of Zhejiang University and Professor Chen Yuzhang of Tsinghua University are the co-corresponding authors
.
This research was supported
by the National Talent Program and the Zhejiang Outstanding Youth Program.

Original link: https://doi.
org/10.
1093/nar/gkac813