Discovery of Umibecestat (CNP520): A Potent, Selective, and Efficacious β-Secretase (BACE1) Inhibitor for the Prevention of Alzheimer’s Disease

Features and development of Coot

Emsley, P., Lohkamp, B., Scott, W. G., & Cowtan, K. D. (2010) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444910007493 · Cited by 27,510 · see citing works

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

Brünger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse‐Kunstleve, R. W., Jiang, J., Kuszewski, J. J., Nilges, M., Pannu, N., et al. (1998) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444998003254 · Cited by 15,720 · see citing works

On the size of the active site in proteases. I. Papain

Schechter, I., & Berger, A. (1967) · Biochemical and Biophysical Research Communications · doi:10.1016/s0006-291x(67)80055-x · Cited by 5,203 · see citing works

Hypothetical model of dynamic biomarkers of the Alzheimer's pathological cascade

Jack, C. R., Knopman, D. S., Jagust, W. J., Shaw, L. M., Aisen, P. S., Weiner, M. W., Petersen, R. C., & Trojanowski, J. Q. (2010) · The Lancet Neurology · doi:10.1016/s1474-4422(09)70299-6 · Cited by 4,806 · see citing works

Tracking pathophysiological processes in Alzheimer's disease: an updated hypothetical model of dynamic biomarkers

Jack, C. R., Knopman, D. S., Jagust, W. J., Petersen, R. C., Weiner, M. W., Aisen, P. S., Shaw, L. M., Vemuri, P., Wiste, H. J., Weigand, S. D., et al. (2013) · The Lancet Neurology · doi:10.1016/s1474-4422(12)70291-0 · Cited by 4,396 · see citing works

Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants

Kabsch, W. (1993) · Journal of Applied Crystallography · doi:10.1107/s0021889893005588 · Cited by 3,611 · see citing works

Racial and ethnic estimates of Alzheimer's disease and related dementias in the United States (2015–2060) in adults aged ≥65 years

Matthews, K. A., Xu, W., Gaglioti, A. H., Holt, J. B., Croft, J. B., Mack, D., & McGuire, L. C. (2019) · Alzheimer's & Dementia · doi:10.1016/j.jalz.2018.06.3063 · Cited by 1,124 · see citing works

Trafficking and Proteolytic Processing of APP

Haass, C., Kaether, C., Thinakaran, G., & Sisodia, S. (2012) · Cold Spring Harbor Perspectives in Medicine · doi:10.1101/cshperspect.a006270 · Cited by 1,075 · see citing works

The A4 Study: Stopping AD Before Symptoms Begin?

Sperling, R. A., Rentz, D. M., Johnson, K. A., Karlawish, J. H., Donohue, M., Salmon, D. P., & Aisen, P. S. S. (2014) · Science Translational Medicine · doi:10.1126/scitranslmed.3007941 · Cited by 756 · see citing works

Randomized trial of verubecestat for mild-to-moderate Alzheimer's disease

Egan, M. F., Kost, J., Tariot, P. N., Aisen, P. S., Cummings, J. L., Vellas, B., Sur, C., Mukai, Y., Voss, T., Furtek, C., et al. (2018) · New England Journal of Medicine · doi:10.1056/nejmoa1706441 · Cited by 685 · see citing works

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

Clark, D. E. (1999) · Journal of Pharmaceutical Sciences · doi:10.1021/js9804011 · Cited by 632 · see citing works

Randomized trial of verubecestat for prodromal Alzheimer's disease

Egan, M. F., Kost, J., Voss, T., Mukai, Y., Aisen, P. S., Cummings, J. L., Tariot, P. N., Vellas, B., van Dyck, C. H., Boada, M., et al. (2019) · New England Journal of Medicine · doi:10.1056/nejmoa1812840 · Cited by 545 · see citing works

Biochemistry of Amyloid -Protein and Amyloid Deposits in Alzheimer DiseasePreprint

Masters, C. L., & Selkoe, D. J. (2012) · Cold Spring Harbor Perspectives in Medicine · doi:10.1101/cshperspect.a006262 · Cited by 543 · see citing works

High-Throughput Permeability pH Profile and High-Throughput Alkane/Water logPwith Artificial Membranes

Wohnsland, F., & Faller, B. (2001) · Journal of Medicinal Chemistry · doi:10.1021/jm001020e · Cited by 496 · see citing works

Isosterism and molecular modification in drug design

Thornber, C. W. (1979) · Chemical Society Reviews · doi:10.1039/cs9790800563 · Cited by 476 · see citing works

In Vitro P-glycoprotein Assays to Predict the in Vivo Interactions of P-glycoprotein with Drugs in the Central Nervous System

Feng, B., Mills, J. B., Davidson, R. E., Mireles, R. J., Janiszewski, J. S., Troutman, M. D., & de Morais, S. M. (2007) · Drug Metabolism and Disposition · doi:10.1124/dmd.107.017434 · Cited by 444 · see citing works

The BACE1 inhibitor verubecestat (MK-8931) reduces CNS β-amyloid in animal models and in Alzheimer’s disease patients

Kennedy, M., Stamford, A., Chen, X., Cox, K., Cumming, J., Dockendorf, M., Egan, M. F., Ereshefsky, L., Hodgson, R., Hyde, L., et al. (2016) · Science Translational Medicine · doi:10.1126/scitranslmed.aad9704 · Cited by 391 · see citing works

BACE1 (β-secretase) inhibitors for the treatment of Alzheimer's disease

Ghosh, A. K., & Osswald, H. L. (2014) · Chemical Society Reviews · doi:10.1039/c3cs60460h · Cited by 361 · see citing works

Evaluation of the MDR-MDCK cell line as a permeability screen for the blood–brain barrier

Wang, Q., Rager, J. D., Weinstein, K. E., Kardos, P., Dobson, G. L., Li, J., & Hidalgo, I. J. (2004) · International Journal of Pharmaceutics · doi:10.1016/j.ijpharm.2004.10.007 · Cited by 354 · see citing works

Computational approaches to the prediction of the blood–brain distribution

Norinder, U., & Haeberlein, M. (2002) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(02)00005-4 · Cited by 305 · see citing works

Classification Analysis of P-Glycoprotein Substrate Specificity

Didžiapetris, R., Japertas, P., Avdeef, A., & Petrauskas, A. A. (2003) · Journal of drug targeting · doi:10.1080/10611860310001648248 · Cited by 254 · see citing works

Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5

Sebastiano, M. R., Doak, B. C., Backlund, M., Poongavanam, V., Over, B., Ermondi, G., Caron, G., Matsson, P., & Kihlberg, J. O. (2018) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.8b00347 · Cited by 238 · see citing works

Structural Modifications that Alter the P-Glycoprotein Efflux Properties of Compounds

Hitchcock, S. A. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm201136z · Cited by 230 · see citing works

Efficacy and Safety of Lanabecestat for Treatment of Early and Mild Alzheimer Disease

Wessels, A. M., Tariot, P. N., Zimmer, J. A., Selzler, K. J., Bragg, S. M., Andersen, S. W., Landry, J., Krull, J. H., Downing, A. M., Willis, B. A., et al. (2019) · JAMA Neurology · doi:10.1001/jamaneurol.2019.3988 · Cited by 215 · see citing works

BACE2 processes PMEL to form the melanosome amyloid matrix in pigment cells

Rochin, L., Hurbain, I., Serneels, L., Fort, C., Watt, B., Leblanc, P., Marks, M. S., De Strooper, B., Raposo, G., & van Niel, G. (2013) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1220748110 · Cited by 186 · see citing works

Apo and Inhibitor Complex Structures of BACE (β-secretase)

Patel, S., Vuillard, L. M., Cleasby, A., Murray, C. W., & Yon, J. R. (2004) · Journal of Molecular Biology · doi:10.1016/j.jmb.2004.08.018 · Cited by 180 · see citing works

The BACE‐1 inhibitor CNP520 for prevention trials in Alzheimer's disease

Neumann, U., Ufer, M., Jacobson, L. H., Rouzade‐Dominguez, M., Huledal, G., Kolly, C., Lüönd, R. M., Machauer, R., Veenstra, S. J., Hurth, K., et al. (2018) · EMBO Molecular Medicine · doi:10.15252/emmm.201809316 · Cited by 177 · see citing works

BACE1 Physiological Functions May Limit Its Use as Therapeutic Target for Alzheimer's Disease.

Barão, S., Moechars, D., Lichtenthaler, S., & de Strooper, B. (2016) · Trends in Neurosciences · doi:10.1016/j.tins.2016.01.003 · Cited by 161 · see citing works

β-Site Amyloid Precursor Protein (APP)-cleaving Enzyme 1 (BACE1)-deficient Mice Exhibit a Close Homolog of L1 (CHL1) Loss-of-function Phenotype Involving Axon Guidance Defects

Hitt, B. D., Riordan, S. M., Kukreja, L., Eimer, W. A., Rajapaksha, T. W., & Vassar, R. J. (2012) · Journal of Biological Chemistry · doi:10.1074/jbc.m112.415505 · Cited by 150 · see citing works

High-Throughput Screening of Drug−Brain Tissue Binding and in Silico Prediction for Assessment of Central Nervous System Drug Delivery

Wan, H., Rehngren, M., Giordanetto, F., Bergström, F., & Tunek, A. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm070375w · Cited by 143 · see citing works

Structure-Based Design of β-Site APP Cleaving Enzyme 1 (BACE1) Inhibitors for the Treatment of Alzheimer’s Disease

Yuan, J., Venkatraman, S., Zheng, Y., McKeever, B. M., Dillard, L. W., & Singh, S. B. (2013) · Journal of Medicinal Chemistry · doi:10.1021/jm301659n · Cited by 135 · see citing works

Investigational BACE inhibitors for the treatment of Alzheimer’s disease

Imbimbo, B. P., & Watling, M. (2019) · Expert Opinion on Investigational Drugs · doi:10.1080/13543784.2019.1683160 · Cited by 132 · see citing works

Pharmacological Inhibition of BACE1 Impairs Synaptic Plasticity and Cognitive Functions

Filser, S., Ovsepian, S. V., Masana, M., Blázquez‐Llorca, L., Elvang, A. B., Volbracht, C., Müller, M. B., Jung, C. K. E., & Herms, J. W. (2014) · Biological Psychiatry · doi:10.1016/j.biopsych.2014.10.013 · Cited by 131 · see citing works

The case for low-level BACE1 inhibition for the prevention of Alzheimer disease

McDade, E., Voytyuk, I., Aisen, P., Bateman, R., Carrillo, M., de Strooper, B., Haass, C., Reiman, E., Sperling, R., Tariot, P., et al. (2021) · Nature Reviews Neurology · doi:10.1038/s41582-021-00545-1 · Cited by 129 · see citing works

β-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.

Hilpert, H., Guba, W., Woltering, T., Wostl, W., Pinard, E., Mauser, H., Mayweg, A., Rogers-Evans, M., Humm, R., Krummenacher, D., et al. (2013) · Journal of Medicinal Chemistry · doi:10.1021/jm400225m · Cited by 119 · see citing works

Findings of Efficacy, Safety, and Biomarker Outcomes of Atabecestat in Preclinical Alzheimer Disease

Sperling, R. A., Henley, D. B., Aisen, P. S. S., Raman, R., Donohue, M., Ernstrom, K. B., Rafii, M. S., Streffer, J. R., Shi, Y., Karcher, K., et al. (2021) · JAMA Neurology · doi:10.1001/jamaneurol.2020.4857 · Cited by 114 · see citing works

A novel BACE inhibitor NB-360 shows a superior pharmacological profile and robust reduction of amyloid-β and neuroinflammation in APP transgenic mice.

Neumann, U., Rueeger, H., Machauer, R., Veenstra, S. J., Lueoend, R. M., Tintelnot-Blomley, M., Laue, G., Beltz, K., Vogg, B., Schmid, P., et al. (2015) · Molecular Neurodegeneration · doi:10.1186/s13024-015-0033-8 · Cited by 113 · see citing works

Axonal organization defects in the hippocampus of adult conditional BACE1 knockout mice

Ou-Yang, M.-H., Kurz, J. E., Nomura, T., Popovic, J., Rajapaksha, T. W., Dong, H., Contractor, A., Chetkovich, D. M., Tourtellotte, W. G., & Vassar, R. (2018) · Science Translational Medicine · doi:10.1126/scitranslmed.aao5620 · Cited by 94 · see citing works

Structure-Based Design, Synthesis, and Memapsin 2 (BACE) Inhibitory Activity of Carbocyclic and Heterocyclic Peptidomimetics

Hanessian, S., Yun, H., Hou, Y., Yang, G., Bayrakdarian, M., Therrien, É., Moitessier, N., Roggo, S. P., Veenstra, S. J., Tintelnot‐Blomley, M., et al. (2005) · Journal of Medicinal Chemistry · doi:10.1021/jm050142+ · Cited by 74 · see citing works

Pharmacological BACE1 and BACE2 inhibition induces hair depigmentation by inhibiting PMEL17 processing in mice

Shimshek, D. R., Jacobson, L. H., Kolly, C., Zamurovic, N., Balavenkatraman, K. K., Morawiec, L., Kreutzer, R., Schelle, J., Jucker, M., Bertschi, B., et al. (2016) · Scientific Reports · doi:10.1038/srep21917 · Cited by 69 · see citing works

Current thinking on the mechanistic basis of Alzheimer's and implications for drug development

Ising, C., Stanley, M., & Holtzman, D. (2015) · Clinical Pharmacology & Therapeutics · doi:10.1002/cpt.200 · Cited by 59 · see citing works

Crystal Structure of Human BACE2 in Complex with a Hydroxyethylamine Transition-state Inhibitor

Ostermann, N., Eder, J., Eidhoff, U., Zink, F., Hassiepen, U., Worpenberg, S., Maibaum, J., Simić, O., Hommel, U., & Gerhartz, B. (2005) · Journal of Molecular Biology · doi:10.1016/j.jmb.2005.10.027 · Cited by 53 · see citing works

Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors

Rueeger, H., Rondeau, J., McCarthy, C., Möbitz, H., Tintelnot‐Blomley, M., Neumann, U., & Desrayaud, S. (2011) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2011.02.038 · Cited by 43 · see citing works

Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, β-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation

O’Neill, B. T., Beck, E. M., Butler, C. R., Nolan, C. E., Gonzales, C., Zhang, L., Doran, S. D., Lapham, K., Buzon, L. M., Dutra, J. K., et al. (2018) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.8b00246 · Cited by 43 · see citing works

Ligand Structural Aspects of hERG Channel Blockade

Aronov, A. M. (2008) · Current Topics in Medicinal Chemistry · doi:10.2174/156802608785700061 · Cited by 38 · see citing works

Discovery of AM-6494: A Potent and Orally Efficacious β-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2

Pettus, L. H., Bourbeau, M. P., Bradley, J., Bartberger, M. D., Chen, K., Hickman, D., Johnson, M., Liu, Q., Manning, J. R., Nañez, A., et al. (2019) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.9b01034 · Cited by 36 · see citing works

APRV– a program for automated data processing, refinement and visualization

Kroemer, M., Dreyer, M., & Wendt, K. U. (2004) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444904015215 · Cited by 35 · see citing works

Enantioselective Silylcyanation of Aldehydes and Ketones by a Titanium Catalyst Prepared from a Partially Hydrolyzed Titanium Alkoxide and a Schiff Base Ligand

Yoshinaga, K., & Nagata, T. (2009) · Advanced Synthesis & Catalysis · doi:10.1002/adsc.200900207 · Cited by 23 · see citing works

REVERSIBLE AND SPECIES-SPECIFIC DEPIGMENTATION EFFECTS OF AZD3293, A BACE INHIBITOR FOR THE TREATMENT OF ALZHEIMER’S DISEASE, ARE RELATED TO BACE2 INHIBITION AND CONFINED TO EPIDERMIS AND HAIR

Cebers, G., Lejeune, T., Attalla, B., Söderberg, M. M., Alexander, R. C., Haeberlein, S. B., Kugler, A. R., Ingersoll, E. W., Platz, S. J., & Scott, C. W. (2016) · The Journal of Prevention of Alzheimer s Disease · doi:10.14283/jpad.2016.119 · Cited by 20 · see citing works

Development of 2-aminooxazoline 3-azaxanthene β-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D

Low, J. D., Bartberger, M. D., Chen, K., Cheng, Y., Fielden, M. R., Gore, V., Hickman, D., Liu, Q., Sickmier, E. A., Vargas, H. M., et al. (2017) · MedChemComm · doi:10.1039/c7md00106a · Cited by 18 · see citing works

Synthesis of the Potent, Selective, and Efficacious β-Secretase (BACE1) Inhibitor NB-360

Rueeger, H., Lueoend, R. M., Machauer, R., Veenstra, S. J., Holzer, P., Hurth, K., Voegtle, M., Frederiksen, M. U., Rondeau, J., Tintelnot‐Blomley, M., et al. (2021) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.0c02143 · Cited by 17 · see citing works

A facile method for the synthesis of substituted pyrazolo[3,4-c]pyridines

Verma, S. K., & LaFrance, L. V. (2008) · Tetrahedron Letters · doi:10.1016/j.tetlet.2008.11.013 · Cited by 13 · see citing works

Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors

Veenstra, S. J., Rueeger, H., Voegtle, M., Lueoend, R. M., Holzer, P., Hurth, K., Tintelnot‐Blomley, M., Frederiksen, M. U., Rondeau, J., Jacobson, L. H., et al. (2018) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2018.05.003 · Cited by 12 · see citing works

A Pooled Analysis of Three Randomized Phase I/IIa Clinical Trials Confirms Absence of a Clinically Relevant Effect on the QTc Interval by Umibecestat

Vormfelde, S. V., Pezous, N., Lefèvre, G. Y., Kolly, C., Neumann, U., Jordaan, P., Ufer, M., & Legangneux, E. (2020) · Clinical and Translational Science · doi:10.1111/cts.12832 · Cited by 11 · see citing works

Recent Advances in Therapeutics for the Treatment of Alzheimer’s Disease

Thawabteh, A. M., Ghanem, A. W., AbuMadi, S., Thaher, D., Jaghama, W., Karaman, D., & Karaman, R. (2024) · Molecules · doi:10.3390/molecules29215131 · Cited by 56 · see citing works

An Analysis of Successful Hit-to-Clinical Candidate Pairs

Brown, D. G. (2023) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.3c00521 · Cited by 53 · see citing works

BACE1 Inhibitors for Alzheimer’s Disease: Current Challenges and Future Perspectives

Coimbra, J. R. M., Resende, R., Custódio, J. B., Salvador, J. A. R., & Santos, A. (2024) · Journal of Alzheimer's Disease · doi:10.3233/jad-240146 · Cited by 33 · see citing works

Molecular mechanisms in Alzheimer's disease and related potential treatments such as structural target convergence of antibodies and simple organic molecules

Oumata, N., Lu, K., Teng, Y., Cavé, C., Yu, P., Galons, H., & Roques, B. P. (2022) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2022.114578 · Cited by 36 · see citing works

Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX

Kengkanna, A., & Ohue, M. (2024) · Communications Chemistry · doi:10.1038/s42004-024-01155-w · Cited by 33 · see citing works

Advanced nano delivery system for stem cell therapy for Alzheimer's disease

Pan, Y., Li, L., Cao, N., Liao, J., Chen, H., & Zhang, M. (2024) · Biomaterials · doi:10.1016/j.biomaterials.2024.122852 · Cited by 32 · see citing works

Amyloid Precursor Protein: A Regulatory Hub in Alzheimer's Disease

Chen, J., Chen, J.-S., Li, S., Zhang, F., Deng, J., Zeng, L., & Tan, J. (2023) · Aging and Disease · doi:10.14336/ad.2023.0308 · Cited by 30 · see citing works

Anti-amyloid: An antibody to cure Alzheimer’s or an attitude

Osborne, O., Naranjo, O., Heckmann, B. L., Dykxhoorn, D. M., & Toborek, M. J. (2023) · iScience · doi:10.1016/j.isci.2023.107461 · Cited by 25 · see citing works

Advances in the discovery of heterocyclic-based drugs against Alzheimer’s disease

Sánchez, J. D., Alcántara, A. R., González, J. F., & Sánchez-Montero, J. M. (2023) · Expert Opinion on Drug Discovery · doi:10.1080/17460441.2023.2264766 · Cited by 25 · see citing works

Synthesis and Functionalization of Aziridines: A Perspective View from Pharmaceutical Industries

Ju, X., Lee, M., Leung, J. C., & Lee, J. (2025) · European Journal of Organic Chemistry · doi:10.1002/ejoc.202401414 · Cited by 22 · see citing works

Fe(OTf) 3 -catalyzed annulation of α,β-unsaturated ketoxime acetates with enaminones for the synthesis of functionalized 2,4-diarylpyridines

Hu, X.-M., Yang, J., Yang, J.-M., Shao, B., Huang, R. Y., & Yan, S. (2023) · Organic Chemistry Frontiers · doi:10.1039/d3qo00685a · Cited by 18 · see citing works

Recent advances in Alzheimer’s disease therapy: clinical trials and literature review of novel enzyme inhibitors targeting amyloid precursor protein

Antony, D., Sheth, P., Swenson, A., Smoller, C., Maguire, K., & Grossberg, G. T. (2024) · Expert Opinion on Pharmacotherapy · doi:10.1080/14656566.2024.2438317 · Cited by 16 · see citing works

Rational design of novel diaryl ether-linked benzimidazole derivatives as potent and selective BACE1 inhibitors

Tran, Q. D., Nguyễn, C. Q., Đăng, Q. L., Thi, N. Y. N., Tuân, N. T., Suh, D. H., Chu, J., Bepary, S., Lee, G. H., Kang, N. S., et al. (2024) · Biochemical and Biophysical Research Communications · doi:10.1016/j.bbrc.2024.149538 · Cited by 11 · see citing works

Repurposing of phyto-ligand molecules from the honey bee products for Alzheimer’s disease as novel inhibitors of BACE-1: small molecule bioinformatics strategies as amyloid-based therapy

Nisa, N., Rasmita, B., Arati, C., Uditraj, C., Siddhartha, R., Dinata, R., Bhanushree, B., Bidanchi, R. M., Manikandan, B., Saeed, A.-L., et al. (2023) · Environmental Science and Pollution Research · doi:10.1007/s11356-023-25943-4 · Cited by 11 · see citing works

Rational Discovery of BACE1‐Selective Inhibitors as Potential Therapeutics for Alzheimer's Disease

Varma, T., Kamble, P., & Garg, P. (2025) · Drug Development Research · doi:10.1002/ddr.70169 · Cited by 6 · see citing works

Enhancing Model Learning and Interpretation using Multiple Molecular Graph Representations for Compound Property and Activity Prediction

Kengkanna, A., & Ohue, M. (2023) · IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB) · doi:10.1109/cibcb56990.2023.10264879 · Cited by 6 · see citing works

Direct Aziridine Synthesis from Amines and Styrene Derivatives via a Base-Promoted Oxidative Cascade Reaction

Vera, C. V. T., Hughes, W. B., Klaus, D. R., Paton, R. S., & Bandar, J. S. (2025) · Journal of the American Chemical Society · doi:10.1021/jacs.5c14493 · Cited by 5 · see citing works

Synergistic activity of nootropic herbs as potent therapeutics for Alzheimer's disease: A cheminformatics, pharmacokinetics, and system pharmacology approach

Bosco, R. B. D., Christyraj, J. R. S. S., & Yesudhason, B. V. (2024) · Journal of Alzheimer s Disease Reports · doi:10.1177/25424823241307019 · Cited by 5 · see citing works

Carrier-Mediated Delivery of Low-Molecular-Weight N-Containing Drugs across the Blood–Brain Barrier or the Blood–Retinal Barrier Using the Proton-Coupled Organic Cation Antiporter

Tashima, T. (2023) · Future Pharmacology · doi:10.3390/futurepharmacol3040046 · Cited by 5 · see citing works

Rapid Construction of Polycyclic Skeletons via Brønsted-Base-Catalyzed Annulations of Ethylidene 1,3-Indenediones and Vinyl 1,2-Diketones

Zhu, L., Luo, H., Liu, J., Luo, B., Yang, S., & Fang, X. (2024) · Organic Letters · doi:10.1021/acs.orglett.4c01690 · Cited by 5 · see citing works

Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights from Computational Screening of BACE1 and GSK-3β

Varshini, M. S., Reddy, R. A., Krishnamurthy, P. T., & Selvaraj, D. (2023) · Current Computer - Aided Drug Design · doi:10.2174/0115734099270256231018072007 · Cited by 4 · see citing works

Recent Advances in Computational Modeling of BACE1 Inhibitors as Anti-Alzheimer Agents

Papavasileiou, K. D., Dondero, F., Melagraki, G., & Afantitis, A. (2023) · Neuromethods · doi:10.1007/978-1-0716-3311-3_3 · Cited by 3 · see citing works

Deciphering the Molecular Mechanism of Inhibition of β‐Secretase (BACE1) Activity by a 2‐Amino‐imidazol‐4‐one Derivative

Kaur, G., & Goyal, B. (2022) · ChemistrySelect · doi:10.1002/slct.202202561 · Cited by 3 · see citing works

Alzheimer Hastalığı ve Anti-Alzheimer Etkili Bileşiklerin Yapılarının Araştırılması

Tari, O., & YAĞMURTAŞAN, R. (2023) · Hacettepe University Journal of the Faculty of Pharmacy · doi:10.52794/hujpharm.1175099 · Cited by 3 · see citing works

Revealing the binding mechanism of BACE1 inhibitors through molecular dynamics simulations

Zhang, Y., Miao, D., Liu, S., & Hao, X. (2024) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2024.2319676 · Cited by 2 · see citing works

Recent advances towards BACE1 drug discovery and therapeutics design

Imran, S., Patel, M., Noroozifar, M., & Kerman, K. (2026) · RSC Medicinal Chemistry · doi:10.1039/d5md01095k · Cited by 3 · see citing works

Small molecule inhibits BACE1 activity by a dual mechanism confirmed by simulations-based study

Nabi, F., Ahmad, O., Fatima, A., Ahmad, A., Sharma, J., & Khan, R. H. (2024) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2024.2435641 · Cited by 2 · see citing works

Exosome-Mediated Delivery of Amyloid Beta Modulators: A Potential Therapeutic Strategy for Alzheimer’s Disease

Mushtaq, T., Hameed, H., Paiva‐Santos, A. C., Tariq, U., & Hameed, A. (2025) · Molecular Neurobiology · doi:10.1007/s12035-025-05189-6 · Cited by 2 · see citing works

Farnesiferol B and Kamolonol Isolated from Ferula assa-foetida are Potent BACE1 Inhibitors with Neuroprotective Effects

Oh, J., Shin, W., Kim, B., Kim, E., Son, H. J., & Kim, H. (2025) · Planta Medica · doi:10.1055/a-2689-8035 · Cited by 1 · see citing works

Structurally divergent reactivity of 2,2-disubstituted azetidines – mechanistic insights and stereochemical implications of amide coupling and ring expansion to 5,6-dihydro-4 H -1,3-oxazines

Sahay, A. K., Begg, C. S., Zhang, X., Bull, J. A., & Spivey, A. C. (2025) · Organic Chemistry Frontiers · doi:10.1039/d5qo00804b · Cited by 1 · see citing works

Treatment options for Alzheimer’s Disease: An overview of the amyloid, tau, and alternate hypotheses

Eroltu, K. (2023) · Journal of High School Science · doi:10.64336/001c.89250 · Cited by 1 · see citing works

From pathology to precision therapy: Contemporary and emerging strategies in Alzheimer's disease treatment

Belavadi, S., & Kadiri, S. K. (2026) · European Journal of Pharmacology · doi:10.1016/j.ejphar.2026.178913 · Cited by 1 · see citing works

Umibecestat, A Highly Selective β‑Secretase (BACE1) Inhibitor

Trauner, D. H., & Peitsinis, Z. V. (2021) · Synfacts · doi:10.1055/s-0041-1737174

In silico decoding strategic pathways inhibition by coptisine for halting Alzheimer’s pathology: a mechanistic insight

Roy, A., Kumar, D., Bhattacharya, P., & Borah, A. (2025) · In Silico Pharmacology · doi:10.1007/s40203-025-00473-8

BACE-1 inhibitors as potential drug candidates for treatment of Alzheimer’s disease: a systematic review

Kaur, N., Gupta, S., Bansal, G., & Bansal, Y. (2026) · Molecular Diversity · doi:10.1007/s11030-026-11546-x

Unraveling the neuroprotective potential of bioactive natural products: Insights from structure–activity studies inAlzheimer's disease

Ugwah-Oguejiofor, C. J., Okechukwu, P. N., Mathias, S. N., Ofokansi, M. N., & Janakiraman, A. K. (2026) · Studies in natural products chemistry · doi:10.1016/b978-0-443-49144-3.00007-1

Tetrapeptide inhibitors of BACE-1 revealed by combined data-driven screening and physics-based free-energy refinement

Nguyen, T. H., Nguyen, H. N. T., Pham, M. Q., & Phùng, H. T. T. (2026) · Molecular Diversity · doi:10.1007/s11030-026-11653-9

Leveraging molecular dynamics to unravel the inhibition mechanism of potential β-secretase (BACE1) inhibitors

Kaur, G., & Goyal, B. (2026) · Physical Chemistry Chemical Physics · doi:10.1039/d6cp01160h

Medicinal Chemistry Perspectives on PFAS in Drug Design: Fluorinated Motifs, Innovation, and Patient Impact

Otsomaa, L., Garnsey, M. R., Gijsen, H. J. M., Cheng, P. T. W., Schroeder, S. D., Menon, S., Ott, G. R., & Owen, D. R. (2026) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.6c01042 · Cited by 1 · see citing works

BindingDB Entry 50019725: An Analysis of Successful Hit-to-Clinical Candidate Pairs.

BindingDB (2024) · UC San Diego · doi:10.7270/q2v69q0j

Synthesis of the Potent, Selective, and Efficacious β-Secretase (BACE1) Inhibitor NB-360

Rueeger, H., Lueoend, R. M., Machauer, R., Veenstra, S. J., Holzer, P., Hurth, K., Voegtle, M., Frederiksen, M. U., Rondeau, J., Tintelnot‐Blomley, M., et al. (2021) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.0c02143 · Cited by 17 · see citing works

Rational Design of Novel 1,3-Oxazine Based β-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust Aβ Reduction in the Brain

Fuchino, K., Mitsuoka, Y., Masui, M., Kurose, N., Yoshida, S., Komano, K., Yamamoto, T., Ogawa, M., Unemura, C., Hosono, M., et al. (2018) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.8b00002 · Cited by 36 · see citing works

From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1).

Cheng, Y., Judd, T., Bartberger, M., Brown, J., Chen, K., Fremeau, R., Hickman, D., Hitchcock, S., Jordan, B., Li, V., et al. (2011) · Journal of Medicinal Chemistry · doi:10.1021/jm200544q · Cited by 134 · see citing works

Discovery of an Extremely Potent Thiazine-Based β-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose

Tadano, G., Komano, K., Yoshida, S., Suzuki, S., Nakahara, K., Fuchino, K., Fujimoto, K., Matsuoka, E., Yamamoto, T., Asada, N., et al. (2019) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.9b01140 · Cited by 11 · see citing works

P4‐363: THE BACE INHIBITOR NB‐360 HAS EXCELLENT BRAIN PENETRATION AND EFFICACY ON AMYLOID‐B LOAD IN ANIMAL MODELS

Neumann, U., Rueeger, H., Machauer, R., Veenstra, S. J., Lueoend, R. M., Tintelnot‐Blomley, M., Laue, G., Beltz, K., Vogg, B., Shimshek, D. R., et al. (2014) · Alzheimer s & Dementia · doi:10.1016/j.jalz.2014.07.133 · Cited by 1 · see citing works