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Table 1 Dock score of the top nine interacting drugs with multiple target proteins

From: In silico repurposing of antipsychotic drugs for Alzheimer’s disease

Name of the ligand

Docking score

 

AChE (4EY6)

BuChE (1P0M)

MAO A (2Z5X)

BACE 1 (3L5E)

BACE 1 (4D8C)

NMDA (1PBQ)

Positive control

Donepezil

− 11.02

Rivastigmine

− 3.123

Marplan

− 8.354

LY2886721

− 6.123

LY2886721

− 6.80

Memantine

− 4.029

Sulmepride

− 11.508

− 7.246

− 3.649

− 4.831

Promazine hydrochloride

− 11.074

− 7.978

− 5.907

− 6.784

− 4.711

Bromperidol

− 10.927

− 8.111

− 5.52

− 6.576

− 7.486

− 5.247

Anisopirol

− 11.001

− 7.977

− 5.26

− 6.083

− 8.169

− 6.903

Melperone

− 11.423

− 6.663

− 8.91

− 7.249

− 6.524

− 6.067

Pimozide

− 14.969

− 8.13

− 8.386

− 8.968

− 6.854

Benperidol

− 14.425

− 7.163

− 6.598

− 6.742

− 9.076

− 6.778

Azabuperone

− 11.882

− 7.938

− 5.861

− 7.584

− 4.167

− 6.51

Anisoperidone

− 7.989

− 6.324

− 8.513

− 7.11

− 5.196