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. Author manuscript; available in PMC: 2012 Aug 7.
Published in final edited form as: Future Med Chem. 2011 Jun;3(8):1057–1085. doi: 10.4155/fmc.11.63

Table 4.

Commonly used pharmacophore modeling programs.

Name Developed by Incorporated into software package Methods Drug design applications Ref.
Catalyst Accelrys Inc. Discovery Studio Ligand based, includes the two methods HipHop and HypoGen for pharmacophore perception
Produces conformers using pre-enumerating method by the Poling algorithm
Uses feature-based method to align molecules
Acetylcholinesterase inhibitors
σ1 receptor ligands
Tubulin inhibitors
[50]
[51]
[130]
DISCOtech Tripos Inc. SYBYL Ligand based Produces conformers using pre-enumerating method by Concord and Confort
Uses Bron–Kerbosh clique- detection algorithm to align molecules
Glycogen synthase kinase inhibitors
SGLT2 inhibitors
Ligands of AT2
[128]
[131]
[132]
LigandScout Inte:Ligand Structure based Pharmacophoric feature points-based pattern- matching alignment algorithm 11 β-HSD1 inhibitors
Pim1 inhibitors
HIV-1 transcriptase inhibitors
[133]
[134]
[135]
MOE Chemical Computing Group MOE Ligand based Produces conformers using pre-enumerating method by various methods ranging from molecular dynamics to stochastic methods and systematic search
Uses property-based algorithm to align molecules
Antitubercular agents
Reversal agents
Antimalarial agents
[136]
[137]
[138]
PHASE Schrödinger, Inc. Schrödinger Ligand based Produces conformers using pre-enumerating method by ConfGen
Uses feature-based algorithm to align molecules
Inhibitors of dengue virus methyltransferase
Selective MDR1 agents γ-aminobutyric acid G1 receptor
ρ1 antagonists
[119]
[139]
[140]

See [250].

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