ReviewCurrent pharmaceutical design2012
From laptop to benchtop to bedside: structure-based drug design on protein targets.
Review in Current pharmaceutical design, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 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
25 citing papers in PubMed.
- Dihydroergotamine alleviates circadian rhythm disorders through predicted interaction with to CRY1.Molecular diversity · 2026Article
- AI accelerate the identification of druggable targets by 3D structures of proteins and compounds.NPJ precision oncology · 2026Review
- Computational Analysis of Balanites aegyptiaca Phytochemicals as Inhibitors of Human Pancreatic α-Amylase.Chemistry & biodiversity · 2026Article
- Bioactive Furan Derivatives fromCurrent drug discovery technologies · 2026Article
- How many crystal structures do you need to trust your docking results?bioRxiv : the preprint server for biology · 2025Article
- IEV2Mol: Molecular Generative Model Considering Protein-Ligand Interaction Energy Vectors.Journal of chemical information and modeling · 2024Article
- Plant-Derived Bioactive Compounds: Exploring Neuroprotective, Metabolic, and Hepatoprotective Effects for Health Promotion and Disease Prevention.Pharmaceutics · 2024Review
- Novel computational pipelines in antiviral structure‑based drug design (Review).Biomedical reports · 2022Review
- Agent-Based Models Help Interpret Patterns of Clinical Drug Resistance by Contextualizing Competition Between Distinct Drug Failure Modes.Cellular and molecular bioengineering · 2022Article
- Drug targets for COVID-19 therapeutics: Ongoing global efforts.Journal of biosciences · 2020Review
- Next Generation Techniques for Determination of Protein-Protein Interactions: Beyond the Crystal Structure.Current pathobiology reports · 2019Article
- Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods.Frontiers in pharmacology · 2019Article
- A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model.BMC bioinformatics · 2018Article
- Structure-Based Drug Design for Cytochrome P450 Family 1 Inhibitors.Bioinorganic chemistry and applications · 2018Review
- RAL GTPases: Biology and Potential as Therapeutic Targets in Cancer.Pharmacological reviews · 2018Review
- PvaxDB: a comprehensive structural repository of Plasmodium vivax proteome.Database : the journal of biological databases and curation · 2018Article
- Overview of the SAMPL5 host-guest challenge: Are we doing better?Journal of computer-aided molecular design · 2017Review
- Comprehensive Modeling and Discovery of Mebendazole as a Novel TRAF2- and NCK-interacting Kinase Inhibitor.Scientific reports · 2016Article
- Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target.Scientific reports · 2015Article
- From local structure to a global framework: recognition of protein folds.Journal of the Royal Society, Interface · 2014Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors.
Funding
Abstract
As an important aspect of computer-aided drug design, structure-based drug design brought a new horizon to pharmaceutical development. This in silico method permeates all aspects of drug discovery today, including lead identification, lead optimization, ADMET prediction and drug repurposing. Structure-based drug design has resulted in fruitful successes drug discovery targeting proteinligand and protein-protein interactions. Meanwhile, challenges, noted by low accuracy and combinatoric issues, may also cause failures. In this review, state-of-the-art techniques for protein modeling (e.g. structure prediction, modeling protein flexibility, etc.), hit identification/ optimization (e.g. molecular docking, focused library design, fragment-based design, molecular dynamic, etc.), and polypharmacology design will be discussed. We will explore how structure-based techniques can facilitate the drug discovery process and interplay with other experimental approaches.
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.