ReviewCurrent opinion in chemical biology2018
Improving small molecule virtual screening strategies for the next generation of therapeutics.
Review in Current opinion in chemical biology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
17 citing papers in PubMed.
- DTBA-net: Drug-Target Binding Affinity prediction using feature selection in hybrid CNN model.Journal of computer-aided molecular design · 2025Article
- Identification of novel inhibitors targeting PI3Kα via ensemble-based virtual screening method, biological evaluation and molecular dynamics simulation.Journal of computer-aided molecular design · 2024Article
- Antiviral Agents: Structural Basis of Action and Rational Design.Sub-cellular biochemistry · 2024Review
- Hierarchical Virtual Screening of Potential New Antibiotics from Polyoxygenated Dibenzofurans againstPharmaceuticals (Basel, Switzerland) · 2023Article
- A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces.International journal of molecular sciences · 2022Article
- Identification of Small-Molecule Inhibitors of Fibroblast Growth Factor 23 Signaling via In Silico Hot Spot Prediction and Molecular Docking to α-Klotho.Journal of chemical information and modeling · 2022Article
- Identification of Novel Inhibitors Targeting SGK1 via Ensemble-Based Virtual Screening Method, Biological Evaluation and Molecular Dynamics Simulation.International journal of molecular sciences · 2022Article
- Medicinal chemistry strategies towards the development of effective SARS-CoV-2 inhibitors.Acta pharmaceutica Sinica. B · 2022Review
- Article
- A specific inhibitor of ALDH1A3 regulates retinoic acid biosynthesis in glioma stem cells.Communications biology · 2021Article
- Fine tuning for success in structure-based virtual screening.Journal of computer-aided molecular design · 2021Article
- Use of the Complementarity Principle in Docking Procedures: A New Approach for Evaluating the Correctness of Binding Poses.Journal of chemical information and modeling · 2021Article
- Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products.Frontiers in chemistry · 2021Review
- Anticancer drug discovery by targeting cullin neddylation.Acta pharmaceutica Sinica. B · 2020Review
- Cross-docking benchmark for automated pose and ranking prediction of ligand binding.Protein science : a publication of the Protein Society · 2020Article
- Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns.International journal of molecular sciences · 2019Article
- Deep Learning in Drug Design: Protein-Ligand Binding Affinity Prediction.IEEE/ACM transactions on computational biology and bioinformaticsArticle
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
Abstract
The new generation of post-genomic targets, such as protein-protein interactions (PPIs), often require new chemotypes not well represented in current compound libraries. This is one reason for why traditional high throughput screening (HTS) approaches are not more successful in delivering medicinal chemistry starting points for PPIs. In silico screening methods of an expanded chemical space are then potential alternatives for developing novel chemical probes to modulate PPIs. In this review, we report on the state-of-the-art pipelines for virtual screening, emphasizing prospectively validated methods capable of addressing the challenge of drugging difficult targets in the human interactome. Collectively, we show that optimal strategies for structure based virtual screening vary depending on receptor structure and degree of flexibility.
Indexed as
Identifiers
What 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.