ArticleFrontiers in pharmacology2019
A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset.
Article in Frontiers in pharmacology, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.Journal of chemical information and modeling · 2026Article
- Integrating traditional and modern approaches for comprehensive pharmacophore map validation in drug discovery.Journal of computer-aided molecular design · 2026Review
- Bis-hydrophobic 5-(1,2-dithiolan-3-yl)pentanamide budding leads targeting brain sigma-1 receptors.PloS one · 2026Article
- Sigma-1 Receptor Ligands for CNS Cancer Treatment.CNS drugs · 2025Review
- Prediction of Activity and Selectivity Profiles of Sigma Receptor Ligands Using Machine Learning Approaches.Journal of chemical information and modeling · 2025Article
- 2-{International journal of molecular sciences · 2025Article
- Amylovis-201 is a new dual-target ligand, acting as an anti-amyloidogenic compound and a potent agonist of theActa pharmaceutica Sinica. B · 2024Article
- MMP9 in pan-cancer and computational study to screen for MMP9 inhibitors.American journal of translational research · 2024Article
- Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method.Journal of chemical information and modeling · 2023Article
- Phenylacetyl-/Trolox- Amides: Synthesis, Sigma-1, HDAC-6, and Antioxidant Activities.International journal of molecular sciences · 2023Article
- Computational biophysics approach towards the discovery of multi-kinase blockers for the management of MAPK pathway dysregulation.Molecular diversity · 2023Article
- Discovery of RC-752, a Novel Sigma-1 Receptor Antagonist with Antinociceptive Activity: A Promising Tool for Fighting Neuropathic Pain.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Investigation of the Entry Pathway and Molecular Nature of σ1 Receptor Ligands.International journal of molecular sciences · 2023Article
- InhibitingPharmaceuticals (Basel, Switzerland) · 2023Article
- Sigma-1 Receptor Signaling: In Search of New Therapeutic Alternatives for Cardiovascular and Renal Diseases.International journal of molecular sciences · 2023Review
- Identification of Selective BRD9 Inhibitor via Integrated Computational Approach.International journal of molecular sciences · 2022Article
- Article
- Fentanyl Structure as a Scaffold for Opioid/Non-Opioid Multitarget Analgesics.International journal of molecular sciences · 2022Review
- Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methods.International journal of molecular sciences · 2022Article
- Novel High Affinity Sigma-1 Receptor Ligands from Minimal Ensemble Docking-Based Virtual Screening.International journal of molecular sciences · 2021Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The recent publication of the σ1R crystal structure is an important cornerstone for the derivation of more accurate activity prediction models. We report here a comparative study involving a set of more than 25,000 structures from our internal database that had been screened for σ1R affinity. Using the recently published crystal structure, 5HK1, two new pharmacophore models were generated. The first one,
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