PMID- 30151082
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20240329
IS  - 2040-2511 (Electronic)
IS  - 2040-2503 (Print)
IS  - 2040-2503 (Linking)
VI  - 9
IP  - 8
DP  - 2018 Aug 1
TI  - Scaffold hopping from synthetic RXR modulators by virtual screening and de novo 
      design.
PG  - 1289-1292
LID - 10.1039/c8md00134k [doi]
AB  - The lack of potent subtype-selective modulators of retinoid X receptors (RXRs) 
      has hindered their full exploitation as promising drug targets. Using 
      computational similarity searching, target prediction and automated de novo 
      design, we identified novel RXR ligands exhibiting innovative molecular 
      frameworks, pronounced receptor-subtype preference and suitable properties for 
      hit-to-lead expansion.
FAU - Merk, Daniel
AU  - Merk D
AUID- ORCID: 0000-0002-5359-8128
AD  - Department of Chemistry and Applied Biosciences , Swiss Federal Institute of 
      Technology (ETH) , Vladimir-Prelog-Weg 4 , CH-8093 Zurich , Switzerland . Email: 
      gisbert.schneider@pharma.ethz.ch.
FAU - Grisoni, Francesca
AU  - Grisoni F
AUID- ORCID: 0000-0001-8552-6615
AD  - Department of Chemistry and Applied Biosciences , Swiss Federal Institute of 
      Technology (ETH) , Vladimir-Prelog-Weg 4 , CH-8093 Zurich , Switzerland . Email: 
      gisbert.schneider@pharma.ethz.ch.
AD  - Department of Earth and Environmental Sciences , University of Milano-Bicocca , 
      P.za della Scienza, 1 , IT-20126 Milan , Italy.
FAU - Friedrich, Lukas
AU  - Friedrich L
AUID- ORCID: 0000-0001-6190-5418
AD  - Department of Chemistry and Applied Biosciences , Swiss Federal Institute of 
      Technology (ETH) , Vladimir-Prelog-Weg 4 , CH-8093 Zurich , Switzerland . Email: 
      gisbert.schneider@pharma.ethz.ch.
FAU - Gelzinyte, Elena
AU  - Gelzinyte E
AD  - Department of Chemistry and Applied Biosciences , Swiss Federal Institute of 
      Technology (ETH) , Vladimir-Prelog-Weg 4 , CH-8093 Zurich , Switzerland . Email: 
      gisbert.schneider@pharma.ethz.ch.
FAU - Schneider, Gisbert
AU  - Schneider G
AUID- ORCID: 0000-0001-6706-1084
AD  - Department of Chemistry and Applied Biosciences , Swiss Federal Institute of 
      Technology (ETH) , Vladimir-Prelog-Weg 4 , CH-8093 Zurich , Switzerland . Email: 
      gisbert.schneider@pharma.ethz.ch.
LA  - eng
PT  - Journal Article
DEP - 20180606
PL  - England
TA  - Medchemcomm
JT  - MedChemComm
JID - 101531525
PMC - PMC6096356
EDAT- 2018/08/29 06:00
MHDA- 2018/08/29 06:01
PMCR- 2019/06/06
CRDT- 2018/08/29 06:00
PHST- 2018/03/10 00:00 [received]
PHST- 2018/04/15 00:00 [accepted]
PHST- 2018/08/29 06:00 [entrez]
PHST- 2018/08/29 06:00 [pubmed]
PHST- 2018/08/29 06:01 [medline]
PHST- 2019/06/06 00:00 [pmc-release]
AID - c8md00134k [pii]
AID - 10.1039/c8md00134k [doi]
PST - epublish
SO  - Medchemcomm. 2018 Jun 6;9(8):1289-1292. doi: 10.1039/c8md00134k. eCollection 2018 
      Aug 1.