PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 28710924-4 2017 In order to understand the binding mechanism and structure-activity relationship of amidine-containing BACE1 inhibitors, molecular docking, and pharmacophore and 3D-QSAR studies have been carried out with 34 amidine derivatives to develop a pharmacophore model. Amidines 208-215 beta-secretase 1 Homo sapiens 103-108 34920170-2 2022 We faced this challenge with a 3,4,5,6-tetrahydropyridine-2-amine scaffold harboring an amidine, a key structural component of potential inhibitors of BACE1, the rate-limiting enzyme in the production of Abeta species that make up amyloid plaques in Alzheimer"s disease. Amidines 88-95 beta-secretase 1 Homo sapiens 151-156 31413800-2 2019 The intrinsic basic nature of low molecular weight, amidine-containing BACE 1 inhibitors makes them far from optimal as central nervous system drugs. Amidines 52-59 beta-secretase 1 Homo sapiens 71-77 28710924-4 2017 In order to understand the binding mechanism and structure-activity relationship of amidine-containing BACE1 inhibitors, molecular docking, and pharmacophore and 3D-QSAR studies have been carried out with 34 amidine derivatives to develop a pharmacophore model. Amidines 84-91 beta-secretase 1 Homo sapiens 103-108 30709653-3 2019 This review provides an overview of amidine-based BACE1 inhibitors between 2014 and 2018. Amidines 36-43 beta-secretase 1 Homo sapiens 50-55 29809004-1 2018 In previous studies, the introduction of electron withdrawing groups to 1,4-oxazine BACE1 inhibitors reduced the p Ka of the amidine group, resulting in compound 2 that showed excellent in vivo efficacy, lowering Abeta levels in brain and CSF. Amidines 125-132 beta-secretase 1 Homo sapiens 84-89 26140617-0 2015 A Versatile Approach to CF3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 Inhibitors. Amidines 131-138 beta-secretase 1 Homo sapiens 145-150 24704031-0 2014 The evolution of amidine-based brain penetrant BACE1 inhibitors. Amidines 17-24 beta-secretase 1 Homo sapiens 47-52 24704031-2 2014 This digest provides an overview of the amidine containing class of BACE1 inhibitors, of which multiple examples are now progressing through clinical trials. Amidines 40-47 beta-secretase 1 Homo sapiens 68-73 20043696-1 2010 A number of novel amidine containing heterocycles were designed to reproduce the unique interaction pattern, revealed by X-ray crystallography, between the BACE-1 catalytic diad and a weak NMR screening hit (3), with special attention paid to maintaining the appropriate basicity and limiting the number of H-bonding donors of these scaffolds. Amidines 18-25 beta-secretase 1 Homo sapiens 156-162 23683349-2 2013 Among the most common fragment hits were various amidine-containing molecules in which the amidine engaged in discrete H-bond donor-acceptor interaction with the BACE1 catalytic dyad. Amidines 49-56 beta-secretase 1 Homo sapiens 162-167 23683349-2 2013 Among the most common fragment hits were various amidine-containing molecules in which the amidine engaged in discrete H-bond donor-acceptor interaction with the BACE1 catalytic dyad. Amidines 91-98 beta-secretase 1 Homo sapiens 162-167 22998419-2 2012 We applied this approach to BACE1 inhibitors and designed four stereoisomeric cyclopropane compounds in which the ethylene linker of a known amidine-type inhibitor 2 was replaced with chiral cyclopropane rings. Amidines 141-148 beta-secretase 1 Homo sapiens 28-33