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Research Article

Molecular dynamics and quantum chemistry-based approaches to identify isoform selective HDAC2 inhibitor – a novel target to prevent Alzheimer’s disease

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Pages 266-278 | Received 08 Jan 2018, Accepted 10 May 2018, Published online: 22 Jun 2018

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Asha Anand, Powsali Ghosh, Ravi Singh, Nilesh Gajanan Bajad, Ashok Kumar & Sushil Kumar Singh. (2023) Identification of potent histone deacetylase 2 (HDAC2) inhibitors through combined structure and ligand-based designs and molecular modelling approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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Varun Dewaker, Pratik Narain Srivastava, Saroj Verma, Ajay K. Srivastava & Yenamandra S. Prabhakar. (2022) Non-bonding energy directed designing of HDAC2 inhibitors through molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 40:24, pages 13432-13455.
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Padmini Pai, Avinash Kumar, Manasa Gangadhar Shetty, Suvarna Ganesh Kini, Manoj Bhat Krishna, Kapaettu Satyamoorthy & Kampa Sundara Babitha. (2022) Identification of potent HDAC 2 inhibitors using E-pharmacophore modelling, structure-based virtual screening and molecular dynamic simulation. Journal of Molecular Modeling 28:5.
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Balajee Ramachandran, Saravanan Muthupandian & Jeyakanthan Jeyaraman. 2021. Computation in Bioinformatics. Computation in Bioinformatics 295 319 .
Ryan W. Logan, Angela R. Ozburn, Rachel N. Arey, Kyle D. Ketchesin, Alicia Winquist, Andrew Crain, Brian T. D. Tobe, Darius Becker-Krail, Matthew B. Jarpe, Xiangning Xue, Wei Zong, Zhiguang Huo, Puja K. Parekh, Xiyu Zhu, Ethan Fitzgerald, Hui Zhang, Jeffrey Oliver-Smith, Lauren M. DePoy, Mariah A. Hildebrand, Evan Y. Snyder, George C. Tseng & Colleen A. McClung. (2020) Valproate reverses mania-like behaviors in mice via preferential targeting of HDAC2. Molecular Psychiatry 26:8, pages 4066-4084.
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Jeffrey L. Brabec, Montana Kay Lara, Anna L. Tyler & J. Matthew Mahoney. (2021) System-Level Analysis of Alzheimer’s Disease Prioritizes Candidate Genes for Neurodegeneration. Frontiers in Genetics 12.
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Balázs Zoltán Zsidó & Csaba Hetényi. (2020) Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome. International Journal of Molecular Sciences 21:11, pages 4134.
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Murali Aarthy, Umesh Panwar & Sanjeev Kumar Singh. (2020) Structural dynamic studies on identification of EGCG analogues for the inhibition of Human Papillomavirus E7. Scientific Reports 10:1.
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Shane G. Poplawski, Krassimira A. Garbett, Rebekah L. McMahan, Holly B. Kordasiewicz, Hien Zhao, Andrew J. Kennedy, Slavina B. Goleva, Teresa H. Sanders, S. Timothy Motley, Eric E. Swayze, David J. Ecker, J. David Sweatt, Todd P. Michael & Celeste B. Greer. (2020) An Antisense Oligonucleotide Leads to Suppressed Transcription of Hdac2 and Long-Term Memory Enhancement. Molecular Therapy - Nucleic Acids 19, pages 1399-1412.
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Jyotirmoy Banerjee, Manjari Tripathi, PSarat Chandra & AparnaBanerjee Dixit. (2020) Do SARS-CoV2 viral proteins have neuromodulatory properties?. Neurology India 68:2, pages 274.
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