Table 5

The customized functions of all 29 databases discussed in this study and their representative applications. These functions fall into three classes: facilitating the rational use of drugs, discovering the potential therapeutic targets, and developing the new strategy for disease treatment

Class of FunctionCustomized Function of Each Analyzed DatabaseTypical Database(s)Representative Applications of These Databases
Discovering the Potential
Therapeutic Targets
Structure-based Drug
Design or Identification
PDB
PPTdb
MemProt MD
PDB database was used to identify a novel AQP4 inhibitor binding deep inside this transporter based on the molecular dynamics using a high-resolution crystal AQP4 structure (Yu et al., 2016).
Sequence-based Discovery
of Target Druggability
TransportDB
TTD
TCDB
TransportDB database was adopted for predicting transporters from the genome and providing a breakthrough for the functional annotation of a large number of transporters (Frioux et al., 2020).
Disease-specific Differential
Expression Analysis
Human Protein Atlas
EBI Expression Atlas
VARIDT
Human Protein Atlas was used to extract the expression pattern of SLC16A1 and SLC16A3 for their clinical potential applications in the treatment of pancreatic adenocarcinoma (Yu et al., 2020).
Structure Similarity Search
by Transported Drugs
ChEMBL
TTD
DrugBank
ChEMBL database was used to identify a new inhibitor of serotonin transporter with comparable affinity to the commercial drug by structure similarity search and virtual screening (Sakai et al., 2021).
Developing the New Strategy for Disease TreatmentInterplay Analysis among
Multiple DT Variabilities
VARIDTVARIDT database was used to facilitate the interplay analysis of OAT2 in hepatocellular carcinoma between its disease-specific differential expression and histone acetylation (Wang et al., 2021).
Functional Analysis Based
on Signaling Pathways
KEGG
PharmGKB
KEGG database was applied to identify the key transporter pathways involving in the development of breast cancer (Sakil et al., 2017) and the microgravity effects in epidermal stem cells (Li et al., 2020a).
Functional Annotation and
Systematic Classification
TCDBTCDB database was adopted to facilitate the functional annotation and systematic classification of DT using its transporter automatic annotation pipeline (Graf et al., 2021; Peng et al., 2021).
Facilitating the Rational
Use of Drugs
Prediction of DT-based
Potential DDI
Transformer
UCSF-FDA TransPortal
PharmGKB
Transformer database was adopted to predict the potential DDIs for reducing the costs in novel drug development and optimizing the process of rational drug design (Carrascal-Laso et al., 2020)
Drug Safety Assessment
and Toxicity Prediction
Human Protein Atlas
VARIDT
EBI Expression Atlas
VARIDT was applied to reveal the biologic mechanism of bile acids efflux using the tissue-specific expression of two subunits of organic solute transporter in ileum (Zhou et al., 2020).
Identification of Potential
Drug Resistance
PharmGKB
OMIM
iMusta4SLC
PharmGKB database was used to predict the response of drugs in cancer treatment based on the pharmacogenomic analysis focusing on ATP binding cassette transporters (Hlaváč et al., 2020).