Citations (30)
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Insan Habib, Shama Khan, Taj Mohammad, Afzal Hussain, Mohamed F. Alajmi, Tabish Rehman, Farah Anjum & Md. Imtaiyaz Hassan. (2022) Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1. Journal of Biomolecular Structure and Dynamics 40:19, pages 9053-9066.
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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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George Nicolae Daniel Ion, Dragos Paul Mihai, Gina Lupascu & George Mihai Nitulescu. (2019) Application of molecular framework-based data-mining method in the search for beta-secretase 1 inhibitors through drug repurposing. Journal of Biomolecular Structure and Dynamics 37:14, pages 3674-3685.
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Akhil Kumar, Gaurava Srivastava, Arvind S. Negi & Ashok Sharma. (2019) Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β. Journal of Biomolecular Structure and Dynamics 37:2, pages 275-290.
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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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H. M. Kumalo & Mahmoud E. Soliman. (2016) A comparative molecular dynamics study on BACE1 and BACE2 flap flexibility. Journal of Receptors and Signal Transduction 36:5, pages 505-514.
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Articles from other publishers (24)
Srinivasulu Cheemanapalli, Ramanjaneyulu Golla, Jagadeeswar Reddy Koyyagura, Yugandhar Pulicherla, Yashpal Bhardwaj, Birina Bhuyan, Mumtam Taboh, Shiddamallayya Nagayya & Rajeswara Reddy Saddala. (2023) Computational screening of foxtail millet (Setaria italica (L.) P.Beauv.) polyphenols for finding β-secretase (BACE 1) inhibitors that target the amyloidogenic pathway in Alzheimer's disease. Journal of Drug Research in Ayurvedic Sciences 8:Suppl 1, pages S131-S139.
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Mohammad Rahimi, Majid Taghdir & Farzane Abasi Joozdani. (2023) Dynamozones are the most obvious sign of the evolution of conformational dynamics in HIV-1 protease. Scientific Reports 13:1.
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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
159
188
.
Khac-Minh Thai, Thai-Son Tran, The-Huan Tran, Thi-Cam-Nhung Cao, Hoang-Nhan Ho, Phuong Nguyen Hoai Huynh, Tan Thanh Mai, Thanh-Dao Tran, Minh-Tri Le & Van-Thanh Tran. 2023. Computational Modeling of Drugs Against Alzheimer’s Disease. Computational Modeling of Drugs Against Alzheimer’s Disease
231
277
.
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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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, 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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Richa Arya, Sarvesh Paliwal, Satya P. Gupta, Swapnil Sharma, Kirtika Madan, Achal Mishra, Kanika Verma & Neha Chauhan. (2021) In-silico Studies and Biological Activity of Potential BACE-1 Inhibitors. Combinatorial Chemistry & High Throughput Screening 24:5, pages 729-736.
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Pedro R. Figueiredo, Sónia F. G. Santos, Beatriz C. Almeida, Isaura Simões & Alexandra T. P. Carvalho. (2021) Introduction of a Glycine Linker Connecting the Heavy and Light Chains in Synthetic Cardosin B-Derived Rennet Changes the Specificity of Subpocket S3′. The Journal of Physical Chemistry B 125:17, pages 4368-4374.
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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.
Crossref
Crossref
Zeynab Fakhar, Shama Khan, Suliman Y. AlOmar, Afrah Alkhuriji & Aijaz Ahmad. (2021) ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19. Scientific Reports 11:1.
Crossref
Crossref
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.
Crossref
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Judite R. M. Coimbra, Salete J. Baptista, Teresa C. P. Dinis, Maria M. C. Silva, Paula I. Moreira, Armanda E. Santos & Jorge A. R. Salvador. (2020) Combining Virtual Screening Protocol and In Vitro Evaluation towards the Discovery of BACE1 Inhibitors. Biomolecules 10:4, pages 535.
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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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Nalini Schaduangrat, Veda Prachayasittikul, Saowapak Choomwattana, Prapimpun Wongchitrat, Kamonrat Phopin, Wilasinee Suwanjang, Aijaz Ahmad Malik, Bruno Vincent & Chanin Nantasenamat. (2019) Multidisciplinary approaches for targeting the secretase protein family as a therapeutic route for Alzheimer's disease. Medicinal Research Reviews 39:5, pages 1730-1778.
Crossref
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Akhil Kumar & Ashok Sharma. 2018. Computational Modeling of Drugs Against Alzheimer’s Disease. Computational Modeling of Drugs Against Alzheimer’s Disease
533
571
.
Lara McGillewie, Muthusamy Ramesh & Mahmoud E. Soliman. (2017) Sequence, Structural Analysis and Metrics to Define the Unique Dynamic Features of the Flap Regions Among Aspartic Proteases. The Protein Journal 36:5, pages 385-396.
Crossref
Crossref
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.
Crossref
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Sergio M. Marques, Lukas Daniel, Tomas Buryska, Zbynek Prokop, Jan Brezovsky & Jiri Damborsky. (2017) Enzyme Tunnels and Gates As Relevant Targets in Drug Design. Medicinal Research Reviews 37:5, pages 1095-1139.
Crossref
Crossref
Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, Charles A. Laughton & F. Javier Luque. (2017) Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors. PLOS ONE 12:5, pages e0177683.
Crossref
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Zeynab Fakhar, Thavendran Govender, Glenn E. M. Maguire, Gyanu Lamichhane, Ross C. Walker, Hendrik G. Kruger & Bahareh Honarparvar. (2017)
Differential flap dynamics in
l
,
d
-transpeptidase2 from mycobacterium tuberculosis revealed by molecular dynamics
. Molecular BioSystems 13:6, pages 1223-1234.
Crossref
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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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Rajiv K. Bedi, Chandan Patel, Vandana Mishra, Huogen Xiao, Rickey Y. Yada & Prasenjit Bhaumik. (2016) Understanding the structural basis of substrate recognition by Plasmodium falciparum plasmepsin V to aid in the design of potent inhibitors. Scientific Reports 6:1.
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