Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies

Kumar, Hitesh; Datusalia, Ashok Kumar; Khatik, Gopal L.

doi:10.1007/s40203-024-00189-1

In Silico Pharmacol.

2024

DOI: 10.1007/s40203-024-00189-1

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Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies

Hitesh Kumar,

Ashok Kumar Datusalia,

Gopal L. Khatik

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Structural and molecular features of acetylcholinesterase targeting small molecules: leveraging in silico tools to combat Alzheimer's disease

Haque,

Alenezi,

Abdul Rasheed

2024

New J. Chem.

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Structural and molecular features of acetylcholinesterase targeting small molecules: leveraging in silico tools to combat Alzheimer's disease

Haque,

Alenezi,

Abdul Rasheed

2024

New J. Chem.

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show abstract

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Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies

Cited by 1 publication

References 26 publications

Structural and molecular features of acetylcholinesterase targeting small molecules: leveraging in silico tools to combat Alzheimer's disease

Structural and molecular features of acetylcholinesterase targeting small molecules: leveraging in silico tools to combat Alzheimer's disease

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