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Identification of potent HDAC 2 inhibitors using E-pharmacophore modelling, structure-based virtual screening and molecular dynamic simulation.
Pai, Padmini; Kumar, Avinash; Shetty, Manasa Gangadhar; Kini, Suvarna Ganesh; Krishna, Manoj Bhat; Satyamoorthy, Kapaettu; Babitha, Kampa Sundara.
Affiliation
  • Pai P; Department of Biophysics, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India.
  • Kumar A; Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India.
  • Shetty MG; Department of Biophysics, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India.
  • Kini SG; Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India.
  • Krishna MB; Department of Bioinformatics, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India.
  • Satyamoorthy K; Department of Cell and Molecular Biology, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India.
  • Babitha KS; Department of Biophysics, Manipal School of Life Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, 576104, India. babitha.ks@manipal.edu.
J Mol Model ; 28(5): 119, 2022 Apr 13.
Article in En | MEDLINE | ID: mdl-35419753
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Histone Deacetylase Inhibitors / Molecular Dynamics Simulation Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Language: En Journal: J Mol Model Journal subject: BIOLOGIA MOLECULAR Year: 2022 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Histone Deacetylase Inhibitors / Molecular Dynamics Simulation Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Language: En Journal: J Mol Model Journal subject: BIOLOGIA MOLECULAR Year: 2022 Document type: Article Affiliation country: Country of publication: