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Literature DB >> 17766111

Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.

Anthony J Roecker¹, Paul J Coleman, Swati P Mercer, John D Schreier, Carolyn A Buser, Eileen S Walsh, Kelly Hamilton, Robert B Lobell, Weikang Tao, Ronald E Diehl, Vicki J South, Joseph P Davide, Nancy E Kohl, Youwei Yan, Lawrence C Kuo, Chunze Li, Carmen Fernandez-Metzler, Elizabeth A Mahan, Thomayant Prueksaritanont, George D Hartman.

Abstract

Inspired by previous efforts in the pyrazolobenzoxazine class of KSP inhibitors, the design and synthesis of 1,4-diaryl-4,5-dihydropyrazole inhibitors of KSP are described. Crystallographic evidence of binding mode and in vivo potency data is also highlighted.

Entities: Chemical Gene

Mesh：

Substances：
Pyrazoles
Hydrogen
Kinesin

Year: 2007 PMID： 17766111 DOI： 10.1016/j.bmcl.2007.07.074

Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823

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Cited

6 in total

1. Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.

Authors: Wei Zhang; Rongbao Li; Ronald Shin; Yimin Wang; Indira Padmalayam; Ling Zhai; N Rama Krishna
Journal: ChemMedChem Date: 2013-07-25 Impact factor: 3.466

2. 3D-QSAR studies of dihydropyrazole and dihydropyrrole derivatives as inhibitors of human mitotic kinesin Eg5 based on molecular docking.

Authors: Xingyan Luo; Mao Shu; Yuanqiang Wang; Jin Liu; Wenjuan Yang; Zhihua Lin
Journal: Molecules Date: 2012-02-17 Impact factor: 4.411

Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.

1. Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.

2. 3D-QSAR studies of dihydropyrazole and dihydropyrrole derivatives as inhibitors of human mitotic kinesin Eg5 based on molecular docking.

3. Loop 5-directed compounds inhibit chimeric kinesin-5 motors: implications for conserved allosteric mechanisms.

Review 4. Recent advances in the therapeutic applications of pyrazolines.

5. Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules.

6. Synthesis, characterization, and evaluation of a novel inhibitor of WNT/β-catenin signaling pathway.