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Identification of a novel spirocyclic Nek2 inhibitor using high throughput virtual screening.

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Title: Identification of a novel spirocyclic Nek2 inhibitor using high throughput virtual screening.
Authors: Bhuiyan AI; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Chemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA., Choi AH; Brooklyn Technical High School, 29 Fort Greene Place, Brooklyn, NY 11217, USA., Ghoshal S; Queensborough Community College of the City University of New York, 222-02 56(th) Avenue, Bayside, NY 11364, USA., Adiele UA; Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, St. John's University, Queens, NY 11439, USA., Dana D; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA., Choi JY; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Chemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA; Biochemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA., Fath KR; Queens College of The City University of New York, Department of Biology, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Biochemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA., Talele TT; Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, St. John's University, Queens, NY 11439, USA., Pathak SK; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Chemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA; Biochemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA. Electronic address: Sanjai.Kumar@qc.cuny.edu.
Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2023 May 15; Vol. 88, pp. 129288. Date of Electronic Publication: 2023 Apr 23.
Publication Type: Journal Article; Research Support, N.I.H., Extramural
Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Bhuiyan+AI%22">Bhuiyan AI</searchLink>; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Chemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA.<br /><searchLink fieldCode="AU" term="%22Choi+AH%22">Choi AH</searchLink>; Brooklyn Technical High School, 29 Fort Greene Place, Brooklyn, NY 11217, USA.<br /><searchLink fieldCode="AU" term="%22Ghoshal+S%22">Ghoshal S</searchLink>; Queensborough Community College of the City University of New York, 222-02 56(th) Avenue, Bayside, NY 11364, USA.<br /><searchLink fieldCode="AU" term="%22Adiele+UA%22">Adiele UA</searchLink>; Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, St. John's University, Queens, NY 11439, USA.<br /><searchLink fieldCode="AU" term="%22Dana+D%22">Dana D</searchLink>; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA.<br /><searchLink fieldCode="AU" term="%22Choi+JY%22">Choi JY</searchLink>; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Chemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA; Biochemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA.<br /><searchLink fieldCode="AU" term="%22Fath+KR%22">Fath KR</searchLink>; Queens College of The City University of New York, Department of Biology, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Biochemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA.<br /><searchLink fieldCode="AU" term="%22Talele+TT%22">Talele TT</searchLink>; Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, St. John's University, Queens, NY 11439, USA.<br /><searchLink fieldCode="AU" term="%22Pathak+SK%22">Pathak SK</searchLink>; Queens College of The City University of New York, Chemistry and Biochemistry Department, 65-30 Kissena Blvd, Flushing, NY 11367, USA; Chemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA; Biochemistry Doctoral Program, The Graduate Center of The City University of New York, 365 5th Ave, New York, NY 10016, USA. Electronic address: Sanjai.Kumar@qc.cuny.edu.
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  Data: <searchLink fieldCode="JN" term="%229107377%22">Bioorganic & medicinal chemistry letters</searchLink> [Bioorg Med Chem Lett] 2023 May 15; Vol. 88, pp. 129288. <i>Date of Electronic Publication: </i>2023 Apr 23.
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