{"id":"https://openalex.org/W2561286893","doi":"https://doi.org/10.1186/s12859-016-1379-9","title":"Novel group-based QSAR and combinatorial design of CK-1\u03b4 inhibitors as neuroprotective agents","display_name":"Novel group-based QSAR and combinatorial design of CK-1\u03b4 inhibitors as neuroprotective agents","publication_year":2016,"publication_date":"2016-12-01","ids":{"openalex":"https://openalex.org/W2561286893","doi":"https://doi.org/10.1186/s12859-016-1379-9","mag":"2561286893","pmid":"https://pubmed.ncbi.nlm.nih.gov/28155653"},"language":"en","primary_location":{"id":"doi:10.1186/s12859-016-1379-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-016-1379-9","pdf_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-016-1379-9","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-016-1379-9","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5004946366","display_name":"Kopal Joshi","orcid":null},"institutions":[{"id":"https://openalex.org/I4210126505","display_name":"Amity University","ror":"https://ror.org/02exxtn84","country_code":"AE","type":"education","lineage":["https://openalex.org/I191972202","https://openalex.org/I4210126505"]},{"id":"https://openalex.org/I191972202","display_name":"Amity University","ror":"https://ror.org/02n9z0v62","country_code":"IN","type":"education","lineage":["https://openalex.org/I191972202"]}],"countries":["AE","IN"],"is_corresponding":false,"raw_author_name":"Kopal Joshi","raw_affiliation_strings":["Amity School of Biotechnology, Amity University, Noida, Uttar Pradesh, 201303, India","Amity School of Biotechnology, Amity University, Noida, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Amity School of Biotechnology, Amity University, Noida, Uttar Pradesh, 201303, India","institution_ids":["https://openalex.org/I191972202","https://openalex.org/I4210126505"]},{"raw_affiliation_string":"Amity School of Biotechnology, Amity University, Noida, India","institution_ids":["https://openalex.org/I191972202"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101901828","display_name":"Sukriti Goyal","orcid":"https://orcid.org/0000-0001-7583-2256"},"institutions":[{"id":"https://openalex.org/I102117144","display_name":"Banasthali University","ror":"https://ror.org/05ycegt40","country_code":"IN","type":"education","lineage":["https://openalex.org/I102117144"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sukriti Goyal","raw_affiliation_strings":["Department of Bioscience and Biotechnology, Banasthali University, Tonk, Rajasthan, 304022, India","Department of Bioscience and Biotechnology, Banasthali University, Tonk, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioscience and Biotechnology, Banasthali University, Tonk, Rajasthan, 304022, India","institution_ids":["https://openalex.org/I102117144"]},{"raw_affiliation_string":"Department of Bioscience and Biotechnology, Banasthali University, Tonk, India","institution_ids":["https://openalex.org/I102117144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068786626","display_name":"Sonam Grover","orcid":"https://orcid.org/0000-0002-7640-5974"},"institutions":[{"id":"https://openalex.org/I68891433","display_name":"Indian Institute of Technology Delhi","ror":"https://ror.org/049tgcd06","country_code":"IN","type":"education","lineage":["https://openalex.org/I68891433"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sonam Grover","raw_affiliation_strings":["Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, 110016, India","Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, 110016, India","institution_ids":["https://openalex.org/I68891433"]},{"raw_affiliation_string":"Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, India","institution_ids":["https://openalex.org/I68891433"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108139479","display_name":"Salma Jamal","orcid":null},"institutions":[{"id":"https://openalex.org/I102117144","display_name":"Banasthali University","ror":"https://ror.org/05ycegt40","country_code":"IN","type":"education","lineage":["https://openalex.org/I102117144"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Salma Jamal","raw_affiliation_strings":["Department of Bioscience and Biotechnology, Banasthali University, Tonk, Rajasthan, 304022, India","Department of Bioscience and Biotechnology, Banasthali University, Tonk, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioscience and Biotechnology, Banasthali University, Tonk, Rajasthan, 304022, India","institution_ids":["https://openalex.org/I102117144"]},{"raw_affiliation_string":"Department of Bioscience and Biotechnology, Banasthali University, Tonk, India","institution_ids":["https://openalex.org/I102117144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100679855","display_name":"Aditi Singh","orcid":"https://orcid.org/0000-0001-7438-2863"},"institutions":[{"id":"https://openalex.org/I118315836","display_name":"TERI University","ror":"https://ror.org/03rh3e906","country_code":"IN","type":"education","lineage":["https://openalex.org/I118315836"]},{"id":"https://openalex.org/I3141573830","display_name":"Department of Biotechnology","ror":"https://ror.org/03tjsyq23","country_code":"IN","type":"funder","lineage":["https://openalex.org/I2799351866","https://openalex.org/I3141573830","https://openalex.org/I4210134808"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Aditi Singh","raw_affiliation_strings":["Department of Biotechnology, TERI University, New Delhi, 110070, India","Department of Biotechnology, TERI University, New Delhi, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biotechnology, TERI University, New Delhi, 110070, India","institution_ids":["https://openalex.org/I118315836","https://openalex.org/I3141573830"]},{"raw_affiliation_string":"Department of Biotechnology, TERI University, New Delhi, India","institution_ids":["https://openalex.org/I118315836","https://openalex.org/I3141573830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079955221","display_name":"Pawan K. Dhar","orcid":null},"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":"Pawan Dhar","raw_affiliation_strings":["School of Biotechnology, Jawaharlal Nehru University, New Delhi, 110067, India","School of Biotechnology, Jawaharlal Nehru University, New Delhi, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Biotechnology, Jawaharlal Nehru University, New Delhi, 110067, India","institution_ids":["https://openalex.org/I152429107"]},{"raw_affiliation_string":"School of Biotechnology, Jawaharlal Nehru University, New Delhi, India","institution_ids":["https://openalex.org/I152429107"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017589215","display_name":"Abhinav Grover","orcid":"https://orcid.org/0000-0002-3296-7860"},"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":true,"raw_author_name":"Abhinav Grover","raw_affiliation_strings":["School of Biotechnology, Jawaharlal Nehru University, New Delhi, 110067, India. abhinavgr@gmail.com","School of Biotechnology, Jawaharlal Nehru University, New Delhi, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Biotechnology, Jawaharlal Nehru University, New Delhi, 110067, India. abhinavgr@gmail.com","institution_ids":[]},{"raw_affiliation_string":"School of Biotechnology, Jawaharlal Nehru University, New Delhi, India","institution_ids":["https://openalex.org/I152429107"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5017589215"],"corresponding_institution_ids":["https://openalex.org/I152429107"],"apc_list":{"value":1690,"currency":"GBP","value_usd":2072},"apc_paid":{"value":1690,"currency":"GBP","value_usd":2072},"fwci":1.8025,"has_fulltext":true,"cited_by_count":11,"citation_normalized_percentile":{"value":0.87262793,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":"17","issue":"S19","first_page":"515","last_page":"515"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.4523000121116638,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.4523000121116638,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.03840000182390213,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T10169","display_name":"Protein Kinase Regulation and GTPase Signaling","score":0.03350000083446503,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7865283489227295},{"id":"https://openalex.org/keywords/neuroprotection","display_name":"Neuroprotection","score":0.6929545402526855},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5590283870697021},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4456871449947357},{"id":"https://openalex.org/keywords/group","display_name":"Group (periodic table)","score":0.43285101652145386},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.42358189821243286},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.35552293062210083},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3078386187553406},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.27992478013038635},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.09868386387825012}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7865283489227295},{"id":"https://openalex.org/C25498285","wikidata":"https://www.wikidata.org/wiki/Q1981368","display_name":"Neuroprotection","level":2,"score":0.6929545402526855},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5590283870697021},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4456871449947357},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.43285101652145386},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.42358189821243286},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.35552293062210083},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3078386187553406},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.27992478013038635},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09868386387825012}],"mesh":[{"descriptor_ui":"D000690","descriptor_name":"Amyotrophic Lateral Sclerosis","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000690","descriptor_name":"Amyotrophic Lateral Sclerosis","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000690","descriptor_name":"Amyotrophic Lateral Sclerosis","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D004268","descriptor_name":"DNA-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004268","descriptor_name":"DNA-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004268","descriptor_name":"DNA-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010766","descriptor_name":"Phosphorylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010766","descriptor_name":"Phosphorylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010766","descriptor_name":"Phosphorylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D018696","descriptor_name":"Neuroprotective Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D018696","descriptor_name":"Neuroprotective Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D018696","descriptor_name":"Neuroprotective Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D018696","descriptor_name":"Neuroprotective Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018696","descriptor_name":"Neuroprotective Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018696","descriptor_name":"Neuroprotective Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D048148","descriptor_name":"Casein Kinase Idelta","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D048148","descriptor_name":"Casein Kinase Idelta","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D048148","descriptor_name":"Casein Kinase Idelta","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","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":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1186/s12859-016-1379-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-016-1379-9","pdf_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-016-1379-9","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},{"id":"pmid:28155653","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28155653","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":"BMC bioinformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:5260052","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5260052","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s12859-016-1379-9","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-016-1379-9","pdf_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-016-1379-9","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320317740","display_name":"Jawaharlal Nehru University","ror":"https://ror.org/0567v8t28"},{"id":"https://openalex.org/F4320320767","display_name":"University Grants Commission","ror":"https://ror.org/04p800546"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2561286893.pdf","grobid_xml":"https://content.openalex.org/works/W2561286893.grobid-xml"},"referenced_works_count":51,"referenced_works":["https://openalex.org/W573446205","https://openalex.org/W1520194282","https://openalex.org/W1763179423","https://openalex.org/W1830398314","https://openalex.org/W1832036578","https://openalex.org/W1971389950","https://openalex.org/W1974221990","https://openalex.org/W1974419383","https://openalex.org/W1976666288","https://openalex.org/W1984133190","https://openalex.org/W1985588649","https://openalex.org/W1999985301","https://openalex.org/W2009423060","https://openalex.org/W2015981295","https://openalex.org/W2017789617","https://openalex.org/W2018071484","https://openalex.org/W2019124374","https://openalex.org/W2019433447","https://openalex.org/W2028061142","https://openalex.org/W2031168104","https://openalex.org/W2055456084","https://openalex.org/W2055841185","https://openalex.org/W2058743058","https://openalex.org/W2060035520","https://openalex.org/W2067234168","https://openalex.org/W2067652401","https://openalex.org/W2074726646","https://openalex.org/W2077726309","https://openalex.org/W2080166273","https://openalex.org/W2080573188","https://openalex.org/W2081457844","https://openalex.org/W2087661061","https://openalex.org/W2091442501","https://openalex.org/W2111605100","https://openalex.org/W2114994173","https://openalex.org/W2119910794","https://openalex.org/W2120641338","https://openalex.org/W2124659015","https://openalex.org/W2125566651","https://openalex.org/W2128062003","https://openalex.org/W2128245586","https://openalex.org/W2128815118","https://openalex.org/W2171943005","https://openalex.org/W2180075703","https://openalex.org/W2419073622","https://openalex.org/W2424981356","https://openalex.org/W2604200129","https://openalex.org/W2913609543","https://openalex.org/W2999197824","https://openalex.org/W4234686673","https://openalex.org/W4236884331"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1997566113","https://openalex.org/W3189652131","https://openalex.org/W2908740012","https://openalex.org/W1967793880","https://openalex.org/W2792066564","https://openalex.org/W2077655479","https://openalex.org/W1965106906"],"abstract_inverted_index":{"BACKGROUND:":[0],"Tar":[1],"DNA":[2],"binding":[3,179],"protein":[4,14,37,51],"43":[5],"(TDP-43)":[6],"hyperphosphorylation,":[7],"caused":[8],"by":[9],"Casein":[10],"kinase":[11],"1":[12],"(CK-1)":[13],"isoforms,":[15],"is":[16,40],"associated":[17],"with":[18,108,178],"the":[19,29,80,97,102,121],"onset":[20],"and":[21,32,46,54,96,148,173,183],"progression":[22],"of":[23,35,82,91,144,155,181],"Amyotrophic":[24],"Lateral":[25],"Sclerosis":[26],"(ALS).":[27],"Among":[28],"reported":[30,84,146],"isoforms":[31],"splice":[33],"variants":[34],"CK-1":[36],"superfamily,":[38],"CK-1\u03b4":[39,116,126,166],"known":[41],"to":[42,120],"phosphorylate":[43],"different":[44],"serine":[45],"threonine":[47],"sites":[48],"on":[49,140],"TDP-43":[50],"in":[52,119],"vitro":[53],"thus":[55],"qualifies":[56],"as":[57],"a":[58,132,141,153],"potential":[59,122],"target":[60],"for":[61,79,125],"ALS":[62],"treatment.":[63],"RESULTS:":[64],"The":[65],"developed":[66,139],"GQSAR":[67,105],"(group":[68],"based":[69,135],"quantitative":[70],"structure":[71],"activity":[72,112],"relationship)":[73],"model":[74,137],"displayed":[75],"satisfactory":[76],"statistical":[77],"parameters":[78],"dataset":[81],"experimentally":[83,145],"N-Benzothiazolyl-2-Phenyl":[85],"Acetamide":[86],"derivatives.":[87],"A":[88],"combinatorial":[89,150],"library":[90,151],"molecules":[92,147,156],"was":[93,138],"also":[94],"generated":[95,158],"activities":[98],"were":[99,113,157],"predicted":[100,110],"using":[101,149],"statistically":[103],"sound":[104],"model.":[106],"Compounds":[107],"higher":[109],"inhibitory":[111],"screened":[114],"against":[115],"that":[117],"resulted":[118],"novel":[123],"leads":[124],"inhibition.":[127],"CONCLUSIONS:":[128],"In":[129],"this":[130],"study,":[131],"robust":[133],"fragment":[134],"QSAR":[136],"congeneric":[142],"set":[143],"approach,":[152],"series":[154],"from":[159],"which":[160],"we":[161],"report":[162],"two":[163],"top":[164],"scoring,":[165],"inhibitors":[167],"i.e.,":[168],"CHC":[169],"(6-benzyl-2-cyclopropyl-4-{[(4-cyclopropyl-6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}j-3-fluorophenyl":[170],"hydrogen":[171,176],"carbonate)":[172,177],"DHC":[174],"(6-benzyl-4-{[(4-cyclopropyl-6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}-2-(decahydronaphthalen-1-yl)-3-hydroxyphenyl":[175],"energy":[180],"-6.11":[182],"-6.01":[184],"kcal/mol,":[185],"respectively.":[186]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":1}],"updated_date":"2026-04-29T09:16:38.111599","created_date":"2025-10-10T00:00:00"}
