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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 12
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Research Articles

Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation

Samuel C. Ugbajaa Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban, South AfricaView further author information
,
Patrick Appiah-Kubib Discipline of Pharmaceutical Sciences, School of Health Sciences, University of KwaZulu-Natal, Durban, South AfricaCorrespondence[email protected] [email protected]
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,
Monsurat M. Lawala Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban, South AfricaView further author information
,
Nelisiwe S. Gumedea Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban, South AfricaView further author information
&
Hezekiel M. Kumaloa Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban, South AfricaCorrespondence[email protected] [email protected]
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Pages 5253-5265 | Received 28 Oct 2020, Accepted 21 Dec 2020, Published online: 07 Jan 2021

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Ming-Tai Hu, Wen-Cong Ma, Jing-Han Wang, Xiao-Qing Jiang, Da-Qing Yang & Jian-Yang Ao. (2023) Mechanistic insights into the allosteric inactivation mechanism of ZAP-70 induced by the hot spot W165C mutation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-10.
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Articles from other publishers (8)

Aganze G. Mushebenge, Samuel C. Ugbaja, Sphamandla E. Mtambo, Thandokuhle Ntombela, Joy I. Metu, Oludotun Babayemi, Joy I. Chima, Patrick Appiah-Kubi, Adeshina I. Odugbemi, Mthobisi L. Ntuli, Rene Khan & Hezekiel M. Kumalo. (2023) Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation. Molecules 28:6, pages 2641.
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Weiwei Yao, Huihui Yang & Jinfei Yang. (2022) Small-molecule drugs development for Alzheimer's disease. Frontiers in Aging Neuroscience 14.
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Gurmeet Kaur & Bhupesh Goyal. (2022) Deciphering the Molecular Mechanism of Inhibition of β‐Secretase (BACE1) Activity by a 2‐Amino‐imidazol‐4‐one Derivative. ChemistrySelect 7:39.
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Samuel C. Ugbaja, Sphamandla E. Mtambo, Aganze G. Mushebenge, Patrick Appiah-Kubi, Bahijjahtu H. Abubakar, Mthobisi L. Ntuli & Hezekiel M. Kumalo. (2022) Structural Investigations and Binding Mechanisms of Oseltamivir Drug Resistance Conferred by the E119V Mutation in Influenza H7N9 Virus. Molecules 27:14, pages 4376.
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Samuel C. Ugbaja, Isiaka A. Lawal, Bahijjahtu H. Abubakar, Aganze G. Mushebenge, Monsurat M. Lawal & Hezekiel M. Kumalo. (2022) Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer’s Disease Therapy. Molecules 27:14, pages 4372.
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Sphamandla E. Mtambo, Samuel C. Ugbaja, Aganze G. Mushebenge, Bahijjahtu H. Abubakar, Mthobisi L. Ntuli & Hezekiel M. Kumalo. (2022) Intermolecular Mechanism and Dynamic Investigation of Avian Influenza H7N9 Virus’ Susceptibility to E119V-Substituted Peramivir–Neuraminidase Complex. Molecules 27:5, pages 1640.
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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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Samuel C. Ugbaja, Monsurat M. Lawal & Hezekiel M. Kumalo. (2022) An Overview of β-Amyloid Cleaving Enzyme 1 (BACE1) in Alzheimer's Disease Therapy: Elucidating its Exosite-Binding Antibody and Allosteric Inhibitor. Current Medicinal Chemistry 29:1, pages 114-135.
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