The effect of desolvation on the binding of inhibitors to HIV-1 protease and cyclin-dependent kinases: Causes of resistance
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- 作者：Clifford W. Fong cwfong@internode.on.net" class="auth_mail" title="E-mail the corresponding author
- 关键词：HIV ; human immunodeficiency virus ; CDK ; cyclin-dependent kinases ; MDR ; multi-drug resistant ; ΔGdesolvation ; free energy of water desolvation ; ΔGlipophilicity ; free energy of lipophilicity or hydrophobicity ; ΔGdesolv ; CDS ; free energy of water desolvation of the cavitation dispersion solvent structure (CDS) ; ΔGlipo ; CDS ; free energy of lipophilicity or hydrophobicity for the CDS ; DM ; dipole moment ; EA ; electron affinity ; IE ; ionization energy ; ε ; dielectric constant ; R2 ; multiple correlation coeffi
- 刊名：Bioorganic & Medicinal Chemistry Letters
- 出版年：2016
- 出版时间：1 August 2016
- 年：2016
- 卷：26
- 期：15
- 页码：3705-3713
- 全文大小：842 K
文摘
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Novel QSAR: desolvation energy + lipophilicity + dipole moment + molecular volume.
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Binding cyclin-dependent kinase inhibitors: desolvation driven.
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Binding HIV-1 protease inhibitors: desolvation, lipophilicity, dipole driven.
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Resistance of HIV-1 proteases.