Screening and Biological Evaluation of Soluble Epoxide HydrolaseInhibitors: Assessing the Role of Hydrophobicity in thePharmacophore-Guided Search of Novel Hits
Assessing the suitability of pharmacophores built by using hydrophobic (Hyphar) descriptors derived from first-principles QM-continuum solvation methods as an alternative strategy for the virtual screening of chemical libraries and to gain insight into the structure-activity relationships in drug discovery.
Our very own Javier Luque, along other researchers, is front page at the Journal of Chemical Information and Modeling (JCIM).
Read the full article here: Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits | Journal of Chemical Information and Modeling (acs.org)