SynthesisMolecular diversity2025
Ligand and structure-based virtual screening approaches in drug discovery: minireview.
Synthesis in Molecular diversity, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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
15 citing papers in PubMed.
- Computational identification of potential VEGFR2 inhibitors using integrated pharmacophore modeling, QSAR analysis, molecular docking, dynamics simulation, and virtual screening followed by in vitro bioassays.Journal of computer-aided molecular design · 2026Article
- Natural chlocarbazomycins as potential adenosine A1 receptor antagonists: ligand-based and structure-based virtual screening, quantum chemical analysis and CNS MPO study.Molecular diversity · 2026Article
- Applying Deep-Learning-DrivenJournal of medicinal chemistry · 2026Article
- Structure-based virtual screening identifies novel small-molecule inhibitors targeting the endonuclease active site of APE1.Scientific reports · 2026Article
- BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction.Journal of chemical information and modeling · 2026Article
- Targeting mechanosensitive cannabinoid receptor 1 with isoflavone prodrugs attenuates atherosclerotic endothelial dysfunction.Journal of biomedical science · 2026Article
- Structure-Based Virtual Screening and In Silico Evaluation of Marine Algae Metabolites as Potential α-Glucosidase Inhibitors for Antidiabetic Drug Discovery.Pharmaceuticals (Basel, Switzerland) · 2026Article
- In silico analysis ofIn silico pharmacology · 2026Article
- Cutting-edge developments in computer-aided anti-HIV drug design.Frontiers in immunology · 2026Review
- Drug Discovery Strategies for Kallikrein-Related Peptidases.International journal of molecular sciences · 2025Review
- Computer-Aided Drug Design Across Breast Cancer Subtypes: Methods, Applications and Translational Outlook.International journal of molecular sciences · 2025Review
- A Pharmacophore-Based Method for Rapid and Accurate Virtual Screening of Antibody Libraries against Antigens.Molecular pharmaceutics · 2025Article
- Identification of Novel HPK1 Hit Inhibitors: From In Silico Design to In Vitro Validation.International journal of molecular sciences · 2025Article
- Alzheimer's Disease: Exploring Pathophysiological Hypotheses and the Role of Machine Learning in Drug Discovery.International journal of molecular sciences · 2025Review
- Exploiting subtractive genomics to identify novel drug targets and new immunogenic candidates againstFrontiers in bioinformatics · 2025Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
The compilation of ligand and structure-based molecular modeling methods has become an important practice in virtual screening applied to drug discovery. This systematic review addresses and ranks various virtual screening strategies to drive the selection of the optimal method for studies that have as their starting point a multi-ligand investigation and investigation based on the protein structure of a therapeutic target. This study shows examples of applications and an evaluation based on the objective and problematic of a series of virtual screening studies present in the ScienceDirect® database. The results showed that the molecular docking technique is widely used in scientific production, indicating that approaches that use protein structure as a starting point are the most promising strategy for drug discovery that relies on virtual screening-based research.
Indexed as
Identifiers
39223358What OpenQuestion holds
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.