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Academic Journal

Discovery of a nanomolar inhibitor of the human glyoxalase-I enzyme using structure-based poly-pharmacophore modelling and molecular docking.

  • Authors : Al-Shar'i NA; Department of Medicinal Chemistry and Pharmacognosy, Faculty of Pharmacy, Jordan University of Science and Technology, P.O. Box 3030, Irbid, 22110, Jordan. .; Al-Balas QA

Subjects: Structure-Activity Relationship*; Antineoplastic Agents/Antineoplastic Agents/Antineoplastic Agents/*chemistry ; Enzyme Inhibitors/Enzyme Inhibitors/Enzyme Inhibitors/*chemistry

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2019 Sep; Vol. 33 (9), pp. 799-815. Date of Electronic Publication: 2019 Oct 19.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Carbonic anhydrase inhibitors drug design.

  • Authors : McKenna R; Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, USA, .; Supuran CT

Subjects: Drug Design* ; Structure-Activity Relationship*; Carbonic Anhydrase Inhibitors/Carbonic Anhydrase Inhibitors/Carbonic Anhydrase Inhibitors/*therapeutic use

  • Source: Sub-cellular biochemistry [Subcell Biochem] 2014; Vol. 75, pp. 291-323.Publisher: Springer Country of Publication: United States NLM ID: 0316571 Publication Model: Print Cited Medium: Print

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Academic Journal

Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens.

  • Authors : Tiikkainen P; VTT Medical Biotechnology and University of Turku, P.O. Box 106, 20521 Turku, Finland. ; Poso A

Subjects: Algorithms* ; Drug Design* ; Drug Evaluation, Preclinical*

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2009 Apr; Vol. 23 (4), pp. 227-39. Date of Electronic Publication: 2008 Dec 03.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium:

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