Title
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches.
Abstract
•Ligand-based virtual screening (LBVS) and structure-based virtual screening (SBVS) methods was used to identify potential TRPC5 inhibitors.•LBVS was based on a combination of HipHop pharmacophore and HypoGen pharmacophore.•SBVS was based on generating homology model and subsequent molecular docking studies.•Seven compounds were selected using Lipinski's Rule of Five, Veber rules, ADME properties and PAINS filter.
Year
DOI
Venue
2020
10.1016/j.compbiolchem.2020.107302
Computational Biology and Chemistry
Keywords
DocType
Volume
CKD,CVD,DOPE,GA,GH,GH,GOLD,HY,hTRPC5,HBA,HBD,LBVS,LPM,mTRPC5,MD,PDB,PDF,PS,QSAR,RA,RMSD,RMS,ROC,SARs,SBVS,TC,TRP,TRPC5
Journal
87
ISSN
Citations 
PageRank 
1476-9271
0
0.34
References 
Authors
0
8
Name
Order
Citations
PageRank
Shuxiang Li100.34
Shuqun Zhang222918.67
Dingyuan Chen300.34
Xuan Jiang400.34
Bin Liu59931.78
Hongbin Zhang600.34
Munikishore Rachakunta700.34
Zhili Zuo822.75