{"id":"https://openalex.org/W3210085584","doi":"https://doi.org/10.1016/j.ijbiomac.2021.10.204","title":"Deciphering the AChE-binding mechanism with multifunctional tricyclic coumarin anti-Alzheimer's agents using biophysical and bioinformatics approaches and evaluation of their modulating effect on Amyloidogenic peptide assembly","display_name":"Deciphering the AChE-binding mechanism with multifunctional tricyclic coumarin anti-Alzheimer's agents using biophysical and bioinformatics approaches and evaluation of their modulating effect on Amyloidogenic peptide assembly","publication_year":2021,"publication_date":"2021-11-02","ids":{"openalex":"https://openalex.org/W3210085584","doi":"https://doi.org/10.1016/j.ijbiomac.2021.10.204","mag":"3210085584","pmid":"https://pubmed.ncbi.nlm.nih.gov/34740688"},"language":"en","primary_location":{"id":"doi:10.1016/j.ijbiomac.2021.10.204","doi":"https://doi.org/10.1016/j.ijbiomac.2021.10.204","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.ijbiomac.2021.10.204","pdf_url":null,"source":{"id":"https://openalex.org/S83853393","display_name":"International Journal of Biological Macromolecules","issn_l":"0141-8130","issn":["0141-8130","1879-0003"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","medline","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Biological Macromolecules","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036541051","display_name":"Jeelan Basha Shaik","orcid":"https://orcid.org/0000-0003-1520-6995","observed_orcids":["https://orcid.org/0000-0003-1520-6995"]},"institutions":[{"id":"https://openalex.org/I83073037","display_name":"Yogi Vemana University","ror":"https://ror.org/0137gef36","country_code":"IN","type":"education","lineage":["https://openalex.org/I83073037"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Jeelan Basha Shaik","raw_affiliation_strings":["Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India","institution_ids":["https://openalex.org/I83073037"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064076667","display_name":"Kandrakonda Yelamanda Rao","orcid":"https://orcid.org/0009-0002-4308-0904","observed_orcids":["https://orcid.org/0009-0002-4308-0904"]},"institutions":[{"id":"https://openalex.org/I83073037","display_name":"Yogi Vemana University","ror":"https://ror.org/0137gef36","country_code":"IN","type":"education","lineage":["https://openalex.org/I83073037"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Yelamanda Rao Kandrakonda","raw_affiliation_strings":["Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India","institution_ids":["https://openalex.org/I83073037"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066622064","display_name":"Monika Kallubai","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I36893310","display_name":"University of Hyderabad","ror":"https://ror.org/04a7rxb17","country_code":"IN","type":"education","lineage":["https://openalex.org/I36893310"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Monika Kallubai","raw_affiliation_strings":["Department of Plant Sciences, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Plant Sciences, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India","institution_ids":["https://openalex.org/I36893310"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031609522","display_name":"Navya Naidu Gajula","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I36893310","display_name":"University of Hyderabad","ror":"https://ror.org/04a7rxb17","country_code":"IN","type":"education","lineage":["https://openalex.org/I36893310"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Navya Naidu Gajula","raw_affiliation_strings":["Department of Animal Biology, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Animal Biology, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India","institution_ids":["https://openalex.org/I36893310"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017694321","display_name":"Shreya Dubey","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I36893310","display_name":"University of Hyderabad","ror":"https://ror.org/04a7rxb17","country_code":"IN","type":"education","lineage":["https://openalex.org/I36893310"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Shreya Dubey","raw_affiliation_strings":["Department of Plant Sciences, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Plant Sciences, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India","institution_ids":["https://openalex.org/I36893310"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064060762","display_name":"Bindu Madhava Reddy Aramati","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I36893310","display_name":"University of Hyderabad","ror":"https://ror.org/04a7rxb17","country_code":"IN","type":"education","lineage":["https://openalex.org/I36893310"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Bindu Madhava Reddy Aramati","raw_affiliation_strings":["Department of Animal Biology, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Animal Biology, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India","institution_ids":["https://openalex.org/I36893310"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009796178","display_name":"Rajagopal Subramanyam","orcid":"https://orcid.org/0000-0003-3872-8390","observed_orcids":["https://orcid.org/0000-0003-3872-8390"]},"institutions":[{"id":"https://openalex.org/I36893310","display_name":"University of Hyderabad","ror":"https://ror.org/04a7rxb17","country_code":"IN","type":"education","lineage":["https://openalex.org/I36893310"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Rajagopal Subramanyam","raw_affiliation_strings":["Department of Plant Sciences, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Plant Sciences, School of Life Sciences, University of Hyderabad, Hyderabad 500046, India","institution_ids":["https://openalex.org/I36893310"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078579138","display_name":"Gangaiah Damu Amooru","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I83073037","display_name":"Yogi Vemana University","ror":"https://ror.org/0137gef36","country_code":"IN","type":"education","lineage":["https://openalex.org/I83073037"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Gangaiah Damu Amooru","raw_affiliation_strings":["Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India. Electronic address: agdamu01@gmail.com","Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India. Electronic address: agdamu01@gmail.com","institution_ids":["https://openalex.org/I83073037"]},{"raw_affiliation_string":"Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India","institution_ids":["https://openalex.org/I83073037"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5078579138"],"corresponding_institution_ids":["https://openalex.org/I83073037"],"apc_list":{"value":3000,"currency":"USD","value_usd":3000},"apc_paid":null,"fwci":0.9946,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.68961734,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"193","issue":"Pt B","first_page":"1409","last_page":"1420"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10086","display_name":"Alzheimer's disease research and treatments","score":0.8485999703407288,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10086","display_name":"Alzheimer's disease research and treatments","score":0.8485999703407288,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.15029999613761902,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology (medical)"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11818","display_name":"Nicotinic Acetylcholine Receptors Study","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/acetylcholinesterase-inhibitors","display_name":"acetylcholinesterase inhibitors","score":0.8040000200271606},{"id":"https://openalex.org/keywords/coumarin-analogs","display_name":"coumarin analogs","score":0.7639999985694885},{"id":"https://openalex.org/keywords/alzheimer-s-disease","display_name":"Alzheimer's disease","score":0.8640000224113464},{"id":"https://openalex.org/keywords/amyloid-beta-aggregation","display_name":"amyloid-beta aggregation","score":0.6520000100135803},{"id":"https://openalex.org/keywords/anti-amyloid-agents","display_name":"anti-amyloid agents","score":0.6809999942779541},{"id":"https://openalex.org/keywords/enzyme-conformational-change","display_name":"enzyme conformational change","score":0.703000009059906},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.4690000116825104},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.9890000224113464},{"id":"https://openalex.org/keywords/thioflavin-t-assay","display_name":"Thioflavin T assay","score":0.8130000233650208},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"cytotoxicity","score":0.8059999942779541}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7494133114814758},{"id":"https://openalex.org/C2778896982","wikidata":"https://www.wikidata.org/wiki/Q2033625","display_name":"Thioflavin","level":4,"score":0.6281911134719849},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6020108461380005},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5306614637374878},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.4567890763282776},{"id":"https://openalex.org/C2781338262","wikidata":"https://www.wikidata.org/wiki/Q111812","display_name":"Coumarin","level":2,"score":0.45675477385520935},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4376317262649536},{"id":"https://openalex.org/C109316439","wikidata":"https://www.wikidata.org/wiki/Q246181","display_name":"Cytotoxicity","level":3,"score":0.4343875050544739},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.369838148355484},{"id":"https://openalex.org/C502032728","wikidata":"https://www.wikidata.org/wiki/Q11081","display_name":"Alzheimer's disease","level":3,"score":0.19615650177001953},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.19263604283332825},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1129133403301239},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000110","descriptor_name":"Acetylcholinesterase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000544","descriptor_name":"Alzheimer Disease","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D003374","descriptor_name":"Coumarins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010446","descriptor_name":"Peptide Fragments","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.ijbiomac.2021.10.204","doi":"https://doi.org/10.1016/j.ijbiomac.2021.10.204","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.ijbiomac.2021.10.204","pdf_url":null,"source":{"id":"https://openalex.org/S83853393","display_name":"International Journal of Biological Macromolecules","issn_l":"0141-8130","issn":["0141-8130","1879-0003"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","medline","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Biological Macromolecules","raw_type":"journal-article"},{"id":"pmid:34740688","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34740688","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International journal of biological macromolecules","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.9476000070571899,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":49,"referenced_works":["https://openalex.org/W38098989","https://openalex.org/W1491040459","https://openalex.org/W1577601626","https://openalex.org/W1623232285","https://openalex.org/W1931070614","https://openalex.org/W1967711859","https://openalex.org/W1968125027","https://openalex.org/W1979113373","https://openalex.org/W1984904502","https://openalex.org/W1989371402","https://openalex.org/W1996152843","https://openalex.org/W2009831982","https://openalex.org/W2020060537","https://openalex.org/W2020555135","https://openalex.org/W2025223727","https://openalex.org/W2030283639","https://openalex.org/W2033354781","https://openalex.org/W2034380860","https://openalex.org/W2034941630","https://openalex.org/W2036393306","https://openalex.org/W2041269990","https://openalex.org/W2051163038","https://openalex.org/W2056897675","https://openalex.org/W2064152124","https://openalex.org/W2072739251","https://openalex.org/W2086758152","https://openalex.org/W2091396384","https://openalex.org/W2093861673","https://openalex.org/W2114367386","https://openalex.org/W2135134122","https://openalex.org/W2148568069","https://openalex.org/W2152529094","https://openalex.org/W2160544821","https://openalex.org/W2166138110","https://openalex.org/W2189871289","https://openalex.org/W2303559510","https://openalex.org/W2310209739","https://openalex.org/W2321774378","https://openalex.org/W2328396575","https://openalex.org/W2491458126","https://openalex.org/W2738394580","https://openalex.org/W2800142390","https://openalex.org/W2943404355","https://openalex.org/W2948997844","https://openalex.org/W2952936591","https://openalex.org/W3014251530","https://openalex.org/W3123061745","https://openalex.org/W4211050998","https://openalex.org/W4211156109"],"related_works":["https://openalex.org/W2329696749","https://openalex.org/W2484443045","https://openalex.org/W2947929064","https://openalex.org/W3097523688","https://openalex.org/W2025022665","https://openalex.org/W2793377695","https://openalex.org/W7066661424","https://openalex.org/W2621242980","https://openalex.org/W1995079654","https://openalex.org/W3021566177"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":4}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2021-11-08T00:00:00"}