Citations (20)
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Kelly Oriakhi, Collins U. Ibeji, Emmanuel E. Essien, Nkeiruka Eluehike, Kissinger Orumwensodia, Patrick Uadia & Iqbal M. Choudhary. (2022) In vitro and computational studies on the antiglycation activity of compounds isolated from antidiabetic Tetracera alnifolia stem bark. Journal of Biomolecular Structure and Dynamics 40:20, pages 9742-9751.
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Samuel C. Ugbaja, Patrick Appiah-Kubi, Monsurat M. Lawal, Nelisiwe S. Gumede & Hezekiel M. Kumalo. (2022) Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation. Journal of Biomolecular Structure and Dynamics 40:12, pages 5253-5265.
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Frederik Rombouts, Ken-ichi Kusakabe, Chien-Chi Hsiao & Harrie J. M. Gijsen. (2021) Small-molecule BACE1 inhibitors: a patent literature review (2011 to 2020). Expert Opinion on Therapeutic Patents 31:1, pages 25-52.
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Collins U. Ibeji. (2020) Molecular dynamics and DFT study on the structure and dynamics of N-terminal domain HIV-1 capsid inhibitors. Molecular Simulation 46:1, pages 62-70.
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Carlos Gueto-Tettay, Luis Pelaez-Bedoya & Juan Carlos Drosos-Ramirez. (2018) Population density analysis for determining the protonation state of the catalytic dyad in BACE1-tertiary carbinamine-based inhibitor complex. Journal of Biomolecular Structure and Dynamics 36:13, pages 3557-3574.
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Articles from other publishers (15)
Puja Mishra, Souvik Basak, Arup Mukherjee & Balaram Ghosh. 2023. Recent Developments in the Synthesis and Applications of Pyridines. Recent Developments in the Synthesis and Applications of Pyridines
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Puja Mishra, Souvik Basak, Arup Mukherjee & Anindya Basu. (2022) Design and Study of In Silico Binding Dynamics of Certain Isoxazole Bearing Leads Against Aβ-42 and BACE-1 Loop in Protein Fibrillation. Letters in Drug Design & Discovery 19:3, pages 192-213.
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Soumendranath Bhakat & Pär Söderhjelm. (2022) Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems. Journal of Chemical Information and Modeling 62:4, pages 914-926.
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Samuel C. Ugbaja, Isiaka A. Lawal, Hezekiel M. Kumalo & Monsurat M. Lawal. (2022) Alzheimer's Disease and β-secretase Inhibition: An Update with a Focus
on Computer-aided Inhibitor Design. Current Drug Targets 23:3, pages 266-285.
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Jung-Mi Kang, Hương Giang Lê, Byoung-Kuk Na & Won Gi Yoo. (2021) pH-Dependent Structural Dynamics of Cathepsin D-Family Aspartic Peptidase of Clonorchis sinensis. Pathogens 10:9, pages 1128.
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Soumendranath Bhakat. (2021) Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experiments. RSC Advances 11:18, pages 11026-11047.
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Sphelele Sosibo, Daniel Gyamfi Amoako, Anou Moise Somboro, Darren Delai Sun, Jane Catherine Ngila & Hezekiel Kumalo. (2020) Understanding the Binding Mechanism of Antagonist (AZD3293) Against BACE-1: Molecular Insights into Alzheimer’s Drug Discovery. Letters in Drug Design & Discovery 17:7, pages 850-857.
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Ayanda M. Magwenyane, Ndumiso N. Mhlongo, Monsurat M. Lawal, Daniel G. Amoako, Anou M. Somboro, Sphelele C. Sosibo, Letitia Shunmugam, Rene B. Khan & Hezekiel M. Kumalo. (2020) Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922). Molecules 25:8, pages 1785.
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Raitis Bobrovs, Kristaps Jaudzems & Aigars Jirgensons. (2019) Exploiting Structural Dynamics To Design Open-Flap Inhibitors of Malarial Aspartic Proteases. Journal of Medicinal Chemistry 62:20, pages 8931-8950.
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Piyoosh Sharma, Pavan Srivastava, Ankit Seth, Prabhash Nath Tripathi, Anupam G. Banerjee & Sushant K. Shrivastava. (2019) Comprehensive review of mechanisms of pathogenesis involved in Alzheimer’s disease and potential therapeutic strategies. Progress in Neurobiology 174, pages 53-89.
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Chien-Chi Hsiao, Frederik Rombouts & Harrie J.M. Gijsen. (2019) New evolutions in the BACE1 inhibitor field from 2014 to 2018. Bioorganic & Medicinal Chemistry Letters 29:6, pages 761-777.
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Patrik Johansson, Karin Kaspersson, Ian K. GurrellElisabeth Bäck, Susanna Eketjäll, Clay W. Scott, Gvido CebersPhilip ThorneMichael J. McKenzieHaydn BeatonPaul DaveyKarin Kolmodin, Jörg HolenzMark E. DugganSamantha Budd HaeberleinRoland W. Bürli. (2018) Toward β-Secretase-1 Inhibitors with Improved Isoform Selectivity. Journal of Medicinal Chemistry 61:8, pages 3491-3502.
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Carlos Gueto-Tettay, Alejandro Martinez-Consuegra, Joshua Zuchniarz, Luis Roberto Gueto-Tettay & Juan Carlos Drosos-Ramírez. (2017) A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process. Journal of Molecular Graphics and Modelling 76, pages 274-288.
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Carlos Gueto-Tettay, Joshua Zuchniarz, Yeyson Fortich-Seca, Luis Roberto Gueto-Tettay & Juan Carlos Drosos-Ramirez. (2016) A molecular dynamics study of the BACE1 conformational change from Apo to closed form induced by hydroxyethylamine derived compounds. Journal of Molecular Graphics and Modelling 70, pages 181-195.
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