ArticleNucleic acids research2018
SuperDRUG2: a one stop resource for approved/marketed drugs.
Article in Nucleic acids research, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers.
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Who cites it
43 citing papers in PubMed.
- Using Artificial Intelligence to Identify Patterns and Predictors of Adverse Drug Reactions in Cardiovascular Patients: A Comprehensive Narrative Review.American journal of cardiovascular drugs : drugs, devices, and other interventions · 2026Review
- Identifying drug targets and evaluating KLK3-targeted inhibitors for prostate cancer using in-silico and in-vitro approaches.Medical oncology (Northwood, London, England) · 2025Article
- Repurposing lapatinib as a triple antagonist of chemokine receptors 3, 4, and 5.Molecular pharmacology · 2025Article
- Databases of ligand-binding pockets and protein-ligand interactions.Computational and structural biotechnology journal · 2024Review
- A review of deep learning methods for ligand based drug virtual screening.Fundamental research · 2024Review
- TTD: Therapeutic Target Database describing target druggability information.Nucleic acids research · 2024Article
- Article
- Drug-drug interaction prediction: databases, web servers and computational models.Briefings in bioinformatics · 2023Review
- Pyronaridine as a Bromodomain-Containing Protein 4-Molecules (Basel, Switzerland) · 2023Article
- Deriving Schwann cells from hPSCs enables disease modeling and drug discovery for diabetic peripheral neuropathy.Cell stem cell · 2023Article
- MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules.Journal of cheminformatics · 2023Article
- Pharmacological Chaperones and Protein Conformational Diseases: Approaches of Computational Structural Biology.International journal of molecular sciences · 2023Review
- Man vs. machine: comparison of pharmacogenetic expert counselling with a clinical medication support system in a study with 200 genotyped patients.European journal of clinical pharmacology · 2022Article
- Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery.Computers in biology and medicine · 2022Article
- DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.Nucleic acids research · 2022Article
- A large-scale computational screen identifies strong potential inhibitors for disrupting SARS-CoV-2 S-protein and human ACE2 interaction.Journal of biomolecular structure & dynamics · 2022Article
- Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking.Journal of computer-aided molecular design · 2022Article
- Machine Learning for Discovery of New ADORA Modulators.Frontiers in pharmacology · 2022Article
- Article
- Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs.Journal of molecular modeling · 2021Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Regular monitoring of drug regulatory agency web sites and similar resources for information on new drug approvals and changes to legal status of marketed drugs is impractical. It requires navigation through several resources to find complete information about a drug as none of the publicly accessible drug databases provide all features essential to complement in silico drug discovery. Here, we propose SuperDRUG2 (http://cheminfo.charite.de/superdrug2) as a comprehensive knowledge-base of approved and marketed drugs. We provide the largest collection of drugs (containing 4587 active pharmaceutical ingredients) which include small molecules, biological products and other drugs. The database is intended to serve as a one-stop resource providing data on: chemical structures, regulatory details, indications, drug targets, side-effects, physicochemical properties, pharmacokinetics and drug-drug interactions. We provide a 3D-superposition feature that facilitates estimation of the fit of a drug in the active site of a target with a known ligand bound to it. Apart from multiple other search options, we introduced pharmacokinetics simulation as a unique feature that allows users to visualise the 'plasma concentration versus time' profile for a given dose of drug with few other adjustable parameters to simulate the kinetics in a healthy individual and poor or extensive metabolisers.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.