Discovery of 5-HT6 receptor ligands based on virtual HTS.
Based on a pharmacophore alignment on a 5-HT(6) ligand applying 4SCan technology, a new lead series was identified and further structurally investigated. K(i)s down to 8 nM were achieved.
Tasler
Stefan
S
4SC AG, Am Klopferspitz 19a, 82152 Planegg-Martinsried, Germany. stefan.tasler@4sc.com
Kraus
Jürgen
J
Wuzik
Andreas
A
Müller
Oliver
O
Aschenbrenner
Andrea
A
Cubero
Elena
E
Pascual
Rosalia
R
Quintana-Ruiz
Jordi-Ramon
JR
Dordal
Alberto
A
Mercè
Ramon
R
Codony
Xavier
X
D000814:Aniline Compounds / Q000737:chemistry* / Q000494:pharmacology; D003198:Computer Simulation; D015195:Drug Design; D006801:Humans; D007211:Indoles / Q000737:chemistry / Q000494:pharmacology; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D000077489:Piperazine; D010879:Piperazines / Q000737:chemistry* / Q000494:pharmacology; D011985:Receptors, Serotonin / Q000737:chemistry* / Q000187:drug effects / Q000378:metabolism; D012984:Software; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology
D000814:Aniline Compounds; D007211:Indoles; D008024:Ligands; C500059:N-(3-(2-dimethylaminoethyl)-1H-indol-5-yl)-5-chloronaphthalene-2-sulfonamide; D010879:Piperazines; D011985:Receptors, Serotonin; D013449:Sulfonamides; C097216:serotonin 6 receptor; D000077489:Piperazine; C023650:aniline