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Collect. Czech. Chem. Commun. 2011, 76, 1447-1469
https://doi.org/10.1135/cccc2011070
Published online 2011-12-04 18:33:05

Docking alignment-3D-QSAR of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors

Jahan B. Ghasemi* and Somayeh Pirhadi

Chemistry Department, Faculty of Sciences, K. N. Toosi University of Technology, Tehran, Iran

Crossref Cited-by Linking

  • Chehardoli Gholamabbas, Bahmani Asrin: Synthetic strategies, SAR studies, and computer modeling of indole 2 and 3-carboxamides as the strong enzyme inhibitors: a review. Mol Divers 2021, 25, 535. <https://doi.org/10.1007/s11030-020-10061-x>
  • Shiri Fereshteh, Pirhadi Somayeh, Ghasemi Jahan B.: Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors. Journal of Biomolecular Structure and Dynamics 2019, 37, 1800. <https://doi.org/10.1080/07391102.2018.1468281>
  • Izadmanesh Y., Ghasemi Jahan B.: Thermodynamic study of β-cyclodextrin-dye inclusion complexes using gradient flow injection technique and molecular modeling. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2016, 165, 54. <https://doi.org/10.1016/j.saa.2016.04.036>
  • Pirhadi Somayeh, Shiri Fereshteh, Ghasemi Jahan B.: Pharmacophore elucidation and 3D-QSAR analysis of a new class of highly potent inhibitors of acid ceramidase based on maximum common substructure and field fit alignment methods. J IRAN CHEM SOC 2014, 11, 1329. <https://doi.org/10.1007/s13738-013-0402-6>
  • Ghasemi Jahan B., Meftahi Nastaran, Pirhadi Somayeh, Tavakoli Hossein: Docking and pharmacophore-based alignment comparative molecular field analysis three-dimensional quantitative structure-activity relationship analysis of dihydrofolate reductase inhibitors by linear and nonlinear calibration methods. J. Chemometrics 2013, 27, 287. <https://doi.org/10.1002/cem.2515>
  • Ghasemi Jahan B., Hooshmand Shabnam: 3D-QSAR, docking and molecular dynamics for factor Xa inhibitors as anticoagulant agents. Molecular Simulation 2013, 39, 453. <https://doi.org/10.1080/08927022.2012.741235>