ArticleNucleic acids research2021
LigAdvisor: a versatile and user-friendly web-platform for drug design.
Article in Nucleic acids research, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
11 citing papers in PubMed.
- ComTarget: Small-Molecule Target Prediction with Combinatorial Modeling.Pharmaceuticals (Basel, Switzerland) · 2026Article
- A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.Journal of chemical information and modeling · 2026Article
- Antimicrobial Resistance: Enzymes, Proteins, and Computational Resources.Current pharmaceutical design · 2026Review
- Optimizing the resveratrol fragments for novel in silico hepatocellular carcinoma de novo drug design.Scientific reports · 2024Article
- TTD: Therapeutic Target Database describing target druggability information.Nucleic acids research · 2024Article
- Discovery of a Potent Dual Inhibitor of Aromatase and Aldosterone Synthase.ACS pharmacology & translational science · 2023Article
- Trends and Applications in Computationally Driven Drug Repurposing.International journal of molecular sciences · 2023Article
- DataPype: A Fully Automated Unified Software Platform for Computer-Aided Drug Design.ACS omega · 2023Article
- Identification of Promising Drug Candidates against Prostate Cancer through Computationally-Driven Drug Repurposing.International journal of molecular sciences · 2023Article
- Synthesis of potent and selective HDAC6 inhibitors led to unexpected opening of a quinazoline ring.RSC advances · 2022Article
- Recent Advances in In Silico Target Fishing.Molecules (Basel, Switzerland) · 2021Review
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Although several tools facilitating in silico drug design are available, their results are usually difficult to integrate with publicly available information or require further processing to be fully exploited. The rational design of multi-target ligands (polypharmacology) and the repositioning of known drugs towards unmet therapeutic needs (drug repurposing) have raised increasing attention in drug discovery, although they usually require careful planning of tailored drug design strategies. Computational tools and data-driven approaches can help to reveal novel valuable opportunities in these contexts, as they enable to efficiently mine publicly available chemical, biological, clinical, and disease-related data. Based on these premises, we developed LigAdvisor, a data-driven webserver which integrates information reported in DrugBank, Protein Data Bank, UniProt, Clinical Trials and Therapeutic Target Database into an intuitive platform, to facilitate drug discovery tasks as drug repurposing, polypharmacology, target fishing and profiling. As designed, LigAdvisor enables easy integration of similarity estimation results with clinical data, thereby allowing a more efficient exploitation of information in different drug discovery contexts. Users can also develop customizable drug design tasks on their own molecules, by means of ligand- and target-based search modes, and download their results. LigAdvisor is publicly available at https://ligadvisor.unimore.it/.
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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.