ArticleACS omega2018
Discovery of Retinoic Acid-Related Orphan Receptor γt Inverse Agonists via Docking and Negative Image-Based Screening.
Article in ACS omega, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 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
11 citing papers in PubMed.
- Identification of New Lupane-Type Triterpenoids as Inverse Agonists of RAR-Related Orphan Receptor Gamma (RORγ).Journal of natural products · 2025Article
- Building shape-focused pharmacophore models for effective docking screening.Journal of cheminformatics · 2024Article
- Article
- Knockdown of USF2 inhibits pyroptosis of podocytes and attenuates kidney injury in lupus nephritis.Journal of molecular histology · 2023Article
- Discovery, Synthesis, and In Vitro Characterization of 2,3 Derivatives of 4,5,6,7-Tetrahydro-Benzothiophene as Potent Modulators of Retinoic Acid Receptor-Related Orphan Receptor γt.Journal of medicinal chemistry · 2023Article
- Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators.Molecules (Basel, Switzerland) · 2023Article
- Sdfconf: A Novel, Flexible, and Robust Molecular Data Management Tool.Journal of chemical information and modeling · 2022Article
- Review ofFrontiers in endocrinology · 2022Review
- Negative Image-Based Screening: Rigid Docking Using Cavity Information.Methods in molecular biology (Clifton, N.J.) · 2021Article
- Getting Docking into Shape Using Negative Image-Based Rescoring.Journal of chemical information and modeling · 2019Article
- A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening.International journal of molecular sciences · 2019Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Retinoic acid-related orphan receptor γt (RORγt) has a vital role in the differentiation of T-helper 17 (TH17) cells. Potent and specific RORγt inverse agonists are sought for treating TH17-related diseases such as psoriasis, rheumatoid arthritis, and type 1 diabetes. Here, the aim was to discover novel RORγt ligands using both standard molecular docking and negative image-based screening. Interestingly, both of these in silico techniques put forward mostly the same compounds for experimental testing. In total, 11 of the 34 molecules purchased for testing were verified as RORγt inverse agonists, thus making the effective hit rate 32%. The pIC
Identifiers
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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.