A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset
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...
Saved in:
Main Authors: | Rosalia Pascual (Author), Carmen Almansa (Author), Carlos Plata-Salamán (Author), José Miguel Vela (Author) |
---|---|
Format: | Book |
Published: |
Frontiers Media S.A.,
2019-05-01T00:00:00Z.
|
Subjects: | |
Online Access: | Connect to this object online. |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Repurposing Sigma-1 Receptor Ligands for COVID-19 Therapy?
by: José Miguel Vela
Published: (2020) -
Predicting or Pretending: Artificial Intelligence for Protein-Ligand Interactions Lack of Sufficiently Large and Unbiased Datasets
by: Jincai Yang, et al.
Published: (2020) -
Drug Design by Pharmacophore and Virtual Screening Approach
by: Deborah Giordano, et al.
Published: (2022) -
Multitarget ligands that comprise opioid/nonopioid pharmacophores for pain management: Current state of the science
by: Émile Breault, et al.
Published: (2024) -
Virtual Lead Identification of Farnesyltransferase Inhibitors Based on Ligand and Structure-Based Pharmacophore Techniques
by: Nizar M. Mhaidat, et al.
Published: (2013)