{"id":"https://openalex.org/W7137861969","doi":"https://doi.org/10.1007/s10822-026-00789-3","title":"Evaluation of novel topiramate\u2013phenolic acid conjugates as potent pancreatic \u03b1-amylase inhibitors: in vitro and in silico insights","display_name":"Evaluation of novel topiramate\u2013phenolic acid conjugates as potent pancreatic \u03b1-amylase inhibitors: in vitro and in silico insights","publication_year":2026,"publication_date":"2026-03-18","ids":{"openalex":"https://openalex.org/W7137861969","doi":"https://doi.org/10.1007/s10822-026-00789-3","pmid":"https://pubmed.ncbi.nlm.nih.gov/41845153"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-026-00789-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-026-00789-3","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","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/A5090116327","display_name":"Ipsa Padhy","orcid":"https://orcid.org/0000-0001-8047-7850"},"institutions":[{"id":"https://openalex.org/I193073490","display_name":"Siksha O Anusandhan University","ror":"https://ror.org/056ep7w45","country_code":"IN","type":"education","lineage":["https://openalex.org/I193073490"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Ipsa Padhy","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, 751003, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, 751003, India","institution_ids":["https://openalex.org/I193073490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129730023","display_name":"Tripti Sharma","orcid":null},"institutions":[{"id":"https://openalex.org/I193073490","display_name":"Siksha O Anusandhan University","ror":"https://ror.org/056ep7w45","country_code":"IN","type":"education","lineage":["https://openalex.org/I193073490"]},{"id":"https://openalex.org/I4210111665","display_name":"Bombay College of Pharmacy","ror":"https://ror.org/0219k5g76","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210111665"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Tripti Sharma","raw_affiliation_strings":["Bombay College of Pharmacy, Kalina, Santacruz (E), Mumbai, Maharashtra, 400098, India. tripti.sharma@bcp.edu.in","Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, 751003, India. tripti.sharma@bcp.edu.in"],"raw_orcid":"https://orcid.org/0000-0002-0125-8260","affiliations":[{"raw_affiliation_string":"Bombay College of Pharmacy, Kalina, Santacruz (E), Mumbai, Maharashtra, 400098, India. tripti.sharma@bcp.edu.in","institution_ids":["https://openalex.org/I4210111665"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, 751003, India. tripti.sharma@bcp.edu.in","institution_ids":["https://openalex.org/I193073490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041100073","display_name":"Anshuman Chandra","orcid":"https://orcid.org/0000-0002-2686-3918"},"institutions":[{"id":"https://openalex.org/I152429107","display_name":"Jawaharlal Nehru University","ror":"https://ror.org/0567v8t28","country_code":"IN","type":"education","lineage":["https://openalex.org/I152429107"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Anshuman Chandra","raw_affiliation_strings":["School of Physical Sciences, Jawaharlal Nehru University, New Delhi, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physical Sciences, Jawaharlal Nehru University, New Delhi, India","institution_ids":["https://openalex.org/I152429107"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071256393","display_name":"Abanish Biswas","orcid":"https://orcid.org/0000-0002-4871-0453"},"institutions":[{"id":"https://openalex.org/I115715567","display_name":"Birla Institute of Technology, Mesra","ror":"https://ror.org/028vtqb15","country_code":"IN","type":"education","lineage":["https://openalex.org/I115715567"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Abanish Biswas","raw_affiliation_strings":["Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, 835215, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, 835215, India","institution_ids":["https://openalex.org/I115715567"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5129730023"],"corresponding_institution_ids":["https://openalex.org/I193073490","https://openalex.org/I4210111665"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.23745414,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"40","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11140","display_name":"Natural Antidiabetic Agents Studies","score":0.37959998846054077,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11140","display_name":"Natural Antidiabetic Agents Studies","score":0.37959998846054077,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"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/T11617","display_name":"Enzyme Production and Characterization","score":0.07660000026226044,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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"}},{"id":"https://openalex.org/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.05820000171661377,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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/in-silico","display_name":"In silico","score":0.8194000124931335},{"id":"https://openalex.org/keywords/in-vitro","display_name":"In vitro","score":0.6592000126838684},{"id":"https://openalex.org/keywords/conjugate","display_name":"Conjugate","score":0.4433000087738037},{"id":"https://openalex.org/keywords/in-vivo","display_name":"In vivo","score":0.4129999876022339},{"id":"https://openalex.org/keywords/cell-culture","display_name":"Cell culture","score":0.33230000734329224}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.8194000124931335},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.6592000126838684},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6312000155448914},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.5019000172615051},{"id":"https://openalex.org/C197336794","wikidata":"https://www.wikidata.org/wiki/Q5161150","display_name":"Conjugate","level":2,"score":0.4433000087738037},{"id":"https://openalex.org/C207001950","wikidata":"https://www.wikidata.org/wiki/Q141124","display_name":"In vivo","level":2,"score":0.4129999876022339},{"id":"https://openalex.org/C81885089","wikidata":"https://www.wikidata.org/wiki/Q189082","display_name":"Cell culture","level":2,"score":0.33230000734329224},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.2879999876022339},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2827000021934509},{"id":"https://openalex.org/C54009773","wikidata":"https://www.wikidata.org/wiki/Q1429031","display_name":"Transfection","level":3,"score":0.2506999969482422}],"mesh":[{"descriptor_ui":"D000516","descriptor_name":"alpha-Amylases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005632","descriptor_name":"Fructose","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D005632","descriptor_name":"Fructose","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D005632","descriptor_name":"Fructose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007294","descriptor_name":"Inositol","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D007294","descriptor_name":"Inositol","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D007294","descriptor_name":"Inositol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D007294","descriptor_name":"Inositol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055292","descriptor_name":"Pancreatic alpha-Amylases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D055292","descriptor_name":"Pancreatic alpha-Amylases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D055292","descriptor_name":"Pancreatic alpha-Amylases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D055292","descriptor_name":"Pancreatic alpha-Amylases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055292","descriptor_name":"Pancreatic alpha-Amylases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055292","descriptor_name":"Pancreatic alpha-Amylases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D062385","descriptor_name":"Hydroxybenzoates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-026-00789-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-026-00789-3","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:41845153","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41845153","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,"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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":54,"referenced_works":["https://openalex.org/W10198738","https://openalex.org/W1524482367","https://openalex.org/W1589514561","https://openalex.org/W1969058624","https://openalex.org/W2003356525","https://openalex.org/W2013837271","https://openalex.org/W2015883754","https://openalex.org/W2069794993","https://openalex.org/W2105211035","https://openalex.org/W2105668062","https://openalex.org/W2132629607","https://openalex.org/W2137344325","https://openalex.org/W2160146592","https://openalex.org/W2162203305","https://openalex.org/W2173733785","https://openalex.org/W2182373365","https://openalex.org/W2554477349","https://openalex.org/W2560323829","https://openalex.org/W2885269063","https://openalex.org/W2956362913","https://openalex.org/W2965350536","https://openalex.org/W2986015386","https://openalex.org/W2997184920","https://openalex.org/W3001672213","https://openalex.org/W3041929760","https://openalex.org/W3043543988","https://openalex.org/W3081066310","https://openalex.org/W3111852187","https://openalex.org/W3113236779","https://openalex.org/W3196765255","https://openalex.org/W3201244329","https://openalex.org/W3203037358","https://openalex.org/W3206058658","https://openalex.org/W4205427255","https://openalex.org/W4214816950","https://openalex.org/W4307508699","https://openalex.org/W4309087211","https://openalex.org/W4310950816","https://openalex.org/W4311852673","https://openalex.org/W4312054431","https://openalex.org/W4318203584","https://openalex.org/W4322012143","https://openalex.org/W4327565265","https://openalex.org/W4365442801","https://openalex.org/W4386840887","https://openalex.org/W4388000151","https://openalex.org/W4388564947","https://openalex.org/W4391774608","https://openalex.org/W4392861404","https://openalex.org/W4396901090","https://openalex.org/W4399009989","https://openalex.org/W4405557640","https://openalex.org/W4407614563","https://openalex.org/W4414804563"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2026-03-18T00:00:00"}
