Evidence map›Paper›PMID 29990431›Full record

ArticleJournal of medicinal chemistry2018

Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.

Dahlia R Weiss, Joel Karpiak, Xi-Ping Huang, Maria F Sassano, Jiankun Lyu, Bryan L Roth, Brian K Shoichet

Open access · greenAbstract read
In one paragraph

Article in Journal of medicinal chemistry, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.

0numbers the graph read from it
0cells of the map it votes in
22citing papers in PubMed
2.1field-weighted citation impact, top 12% of its field
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

22 citing papers in PubMed, 47 citations in OpenAlex.

  1. Library docking for Cannabinoid-2 Receptor ligands.bioRxiv : the preprint server for biology · 2026
    Article
  2. Article
  3. State-Specific Peptide Design Targeting G Protein-Coupled Receptors.Journal of chemical information and modeling · 2025
    Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. The Art and Science of Molecular Docking.Annual review of biochemistry · 2024
    Review
  10. DrugGym: A testbed for the economics of autonomous drug discovery.bioRxiv : the preprint server for biology · 2024
    Article
  11. Review
  12. Docking-Based Virtual Screening Enables Prioritizing Protein Kinase Inhibitors WithFrontiers in cellular and infection microbiology · 2022
    Article
  13. Review
  14. Article
  15. Structure-basedComputational and structural biotechnology journal · 2021
    Review
  16. Article
  17. The Advent of Generative Chemistry.ACS medicinal chemistry letters · 2020
    Article
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors at 2 institutions in 1 country.

Dahlia R WeissDepartment of Pharmaceutical Chemistry , University of California-San Francisco , San Francisco , California 94158-2550 , United States.
Joel KarpiakDepartment of Pharmaceutical Chemistry , University of California-San Francisco , San Francisco , California 94158-2550 , United States.
Xi-Ping HuangDepartment of Pharmacology and National Institute of Mental Health Psychoactive Drug Screening Program, School of Medicine , University of North Carolina , Chapel Hill , North Carolina 27599 , United States.
Maria F SassanoDepartment of Pharmacology and National Institute of Mental Health Psychoactive Drug Screening Program, School of Medicine , University of North Carolina , Chapel Hill , North Carolina 27599 , United States.
Jiankun LyuDepartment of Pharmaceutical Chemistry , University of California-San Francisco , San Francisco , California 94158-2550 , United States.
Bryan L RothDepartment of Pharmacology and National Institute of Mental Health Psychoactive Drug Screening Program, School of Medicine , University of North Carolina , Chapel Hill , North Carolina 27599 , United States.
Brian K ShoichetDepartment of Pharmaceutical Chemistry , University of California-San Francisco , San Francisco , California 94158-2550 , United States.ORCID 0000-0002-6098-7367
University of California, San Francisco · USUniversity of North Carolina at Chapel Hill · US

Funding

Development and Testing of New Computational Methods for Ligand Discovery and MechanismR35GM122481 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI Brian K Shoichet · 2017 to 2026
$8.5M
Virtual screening studies of the Beta-2 Adrenergic ReceptorF32GM093580 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI WEISS, DAHLIA R · 2010 to 2012
$153k
NIGMS NIH HHS F32 GM093580NIGMS NIH HHS R35 GM122481
6 · The paper itself

Abstract

To investigate large library docking's ability to find molecules with joint activity against on-targets and selectivity versus antitargets, the dopamine D

Indexed as

Molecular Docking SimulationDrug Evaluation, PreclinicalLigandsProtein ConformationReceptors, Dopamine D2Receptor, Serotonin, 5-HT2ASubstrate SpecificityLigandsReceptors, Dopamine D2Receptor, Serotonin, 5-HT2A

Identifiers

PMID29990431
PMCPMC6105036
OpenAlexW2844076759

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

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.