Ligand-based computer aided drug design reveals new tropomycin receptor kinase a (TrkA) inhibitors

Rand Shahin; Iman A. Mansi; Lubna Swellmeen; Tahani Alwidyan; Nabil N. AL‐Hashimi; Yaser Al-Qarar’h; Omar Shaheen

doi:10.1016/j.jmgm.2018.01.004

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Ligand-based computer aided drug design reveals new tropomycin receptor kinase a (TrkA) inhibitors

Rand Shahin Iman A. Mansi Lubna Swellmeen Tahani Alwidyan Nabil N. AL‐Hashimi Yaser Al-Qarar’h Omar Shaheen

Year: 2018 Journal: Journal of Molecular Graphics and Modelling Vol: 80 Pages: 327-352 Publisher: Elsevier BV

DOI: 10.1016/j.jmgm.2018.01.004

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Keywords:

Pharmacophore Quantitative structure–activity relationship Tropomyosin receptor kinase A Chemistry Context (archaeology) Stereochemistry Docking (animal) Ligand (biochemistry) Computational biology Substituent Combinatorial chemistry Drug discovery Biochemistry Receptor Biology Medicine

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Computational Drug Discovery Methods

Physical Sciences → Computer Science → Computational Theory and Mathematics

Synthesis and biological activity

Physical Sciences → Chemistry → Organic Chemistry

Chemical Synthesis and Analysis

Life Sciences → Biochemistry, Genetics and Molecular Biology → Molecular Biology

Ligand-based computer aided drug design reveals new tropomycin receptor kinase a (TrkA) inhibitors

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