{"id":"https://openalex.org/W7202250652","doi":"https://doi.org/10.1002/9781394371112.ch16","title":"Case Studies: Successful Drug Discovery Using CADD","display_name":"Case Studies: Successful Drug Discovery Using CADD","publication_year":2026,"publication_date":"2026-07-29","ids":{"openalex":"https://openalex.org/W7202250652","doi":"https://doi.org/10.1002/9781394371112.ch16"},"language":"en","primary_location":{"id":"doi:10.1002/9781394371112.ch16","doi":"https://doi.org/10.1002/9781394371112.ch16","is_oa":false,"landing_page_url":"https://doi.org/10.1002/9781394371112.ch16","pdf_url":null,"source":{"id":"https://openalex.org/S4306464293","display_name":"Wiley eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computer\u2010Aided Drug Design","raw_type":"other"},"volume":{"id":"https://openalex.org/W7202277857","display_name":"Computer\u2010Aided Drug Design"},"type":"book-chapter","is_traditional":true,"indexed_in":["crossref"],"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/A5118439796","display_name":"Shaik Asha Begum","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shaik Asha Begum","raw_affiliation_strings":["KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada, Andhra Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada, Andhra Pradesh, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112384966","display_name":"S. K. Abdul Rahaman","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I155125381","display_name":"Galgotias University","ror":"https://ror.org/02w8ba206","country_code":"IN","type":"education","lineage":["https://openalex.org/I155125381"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sk. Abdul Rahaman","raw_affiliation_strings":["School of Medical and Allied Sciences, Galgotias University, Greater Noida, Uttar Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Medical and Allied Sciences, Galgotias University, Greater Noida, Uttar Pradesh, India","institution_ids":["https://openalex.org/I155125381"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063498750","display_name":"Adimulapu Anilkumar","orcid":"https://orcid.org/0000-0002-4127-9314","observed_orcids":["https://orcid.org/0000-0002-4127-9314"]},"institutions":[{"id":"https://openalex.org/I332121957","display_name":"Kaziranga University","ror":"https://ror.org/00vadgf54","country_code":"IN","type":"education","lineage":["https://openalex.org/I332121957"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Anilkumar Adimulapu","raw_affiliation_strings":["Department of Pharmaceutics, School of Pharmacy, The Assam Kaziranga University, Jorhat, Assam, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutics, School of Pharmacy, The Assam Kaziranga University, Jorhat, Assam, India","institution_ids":["https://openalex.org/I332121957"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036106853","display_name":"Ajay Bommareddy","orcid":"https://orcid.org/0000-0003-0095-9468","observed_orcids":["https://orcid.org/0000-0003-0095-9468"]},"institutions":[{"id":"https://openalex.org/I63772739","display_name":"Florida Atlantic University","ror":"https://ror.org/05p8w6387","country_code":"US","type":"education","lineage":["https://openalex.org/I63772739"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Ajay Bommareddy","raw_affiliation_strings":["Schmidt School of Medicine, Florida Atlantic University, Boca Raton, FL, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Schmidt School of Medicine, Florida Atlantic University, Boca Raton, FL, USA","institution_ids":["https://openalex.org/I63772739"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5036106853"],"corresponding_institution_ids":["https://openalex.org/I63772739"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"339","last_page":"354"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.0,"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"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-aided-drug-design","display_name":"computer-aided drug design","score":0.9980000257492065},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"drug discovery","score":0.9490000009536743},{"id":"https://openalex.org/keywords/hiv-protease-inhibitors","display_name":"HIV protease inhibitors","score":0.9769999980926514},{"id":"https://openalex.org/keywords/kinase-inhibitors","display_name":"kinase inhibitors","score":0.9829999804496765},{"id":"https://openalex.org/keywords/cancer-therapy","display_name":"cancer therapy","score":0.6480000019073486},{"id":"https://openalex.org/keywords/remdesivir","display_name":"remdesivir","score":0.8690000176429749},{"id":"https://openalex.org/keywords/antiviral-agents","display_name":"antiviral agents","score":0.9890000224113464},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.8809999823570251},{"id":"https://openalex.org/keywords/lead-optimization","display_name":"lead optimization","score":0.8500000238418579},{"id":"https://openalex.org/keywords/structure-based-drug-design","display_name":"structure-based drug design","score":0.9210000038146973},{"id":"https://openalex.org/keywords/ligand-based-drug-design","display_name":"ligand-based drug design","score":0.9909999966621399},{"id":"https://openalex.org/keywords/machine-learning-in-drug-discovery","display_name":"machine learning in drug discovery","score":0.8730000257492065},{"id":"https://openalex.org/keywords/artificial-intelligence-in-drug-discovery","display_name":"artificial intelligence in drug discovery","score":0.8899999856948853},{"id":"https://openalex.org/keywords/target-identification","display_name":"target identification","score":0.7990000247955322}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6136999726295471},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5809000134468079},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5648999810218811},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.5113000273704529},{"id":"https://openalex.org/C112930515","wikidata":"https://www.wikidata.org/wiki/Q4389547","display_name":"Risk analysis (engineering)","level":1,"score":0.4034999907016754},{"id":"https://openalex.org/C163763905","wikidata":"https://www.wikidata.org/wiki/Q17075943","display_name":"Precision medicine","level":2,"score":0.4023999869823456},{"id":"https://openalex.org/C177713679","wikidata":"https://www.wikidata.org/wiki/Q679690","display_name":"Intensive care medicine","level":1,"score":0.3986999988555908},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.39660000801086426},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3824999928474426},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.3815000057220459},{"id":"https://openalex.org/C3013748606","wikidata":"https://www.wikidata.org/wiki/Q15787","display_name":"Human immunodeficiency virus (HIV)","level":2,"score":0.3456999957561493},{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.33559998869895935},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.31690001487731934},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.289900004863739},{"id":"https://openalex.org/C2781143361","wikidata":"https://www.wikidata.org/wiki/Q55761529","display_name":"Protease inhibitor (pharmacology)","level":5,"score":0.28839999437332153},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.28519999980926514},{"id":"https://openalex.org/C2779756493","wikidata":"https://www.wikidata.org/wiki/Q846227","display_name":"Antiviral drug","level":3,"score":0.2822999954223633},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.27079999446868896},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.26080000400543213},{"id":"https://openalex.org/C3007834351","wikidata":"https://www.wikidata.org/wiki/Q82069695","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","level":5,"score":0.2540000081062317},{"id":"https://openalex.org/C2984430287","wikidata":"https://www.wikidata.org/wiki/Q186249","display_name":"Pharmaceutical technology","level":2,"score":0.25060001015663147}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/9781394371112.ch16","doi":"https://doi.org/10.1002/9781394371112.ch16","is_oa":false,"landing_page_url":"https://doi.org/10.1002/9781394371112.ch16","pdf_url":null,"source":{"id":"https://openalex.org/S4306464293","display_name":"Wiley eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computer\u2010Aided Drug Design","raw_type":"other"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.5683000087738037}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4403439385","https://openalex.org/W7119480151","https://openalex.org/W6893360208","https://openalex.org/W4413459333","https://openalex.org/W7215124980","https://openalex.org/W7213674270","https://openalex.org/W4405457840","https://openalex.org/W7117776542","https://openalex.org/W7219555245","https://openalex.org/W7169842027"],"abstract_inverted_index":{"Pharmaceutical":[0],"research":[1],"has":[2],"been":[3,63,89],"transformed":[4],"by":[5,36,66,77,92],"computer-aided":[6],"drug":[7,13,31,111],"design":[8],"(CADD),":[9],"which":[10,25],"speeds":[11],"up":[12],"discovery":[14],"while":[15],"cutting":[16],"expenses.":[17],"This":[18],"chapter":[19],"examines":[20],"successful":[21],"case":[22],"studies":[23],"in":[24,44,109],"the":[26,48,93,114],"identification":[27,87],"and":[28,47,60,72,79,84,99,119],"optimization":[29,74],"of":[30,50,95],"candidates":[32],"was":[33],"greatly":[34,64],"aided":[35],"CADD.":[37],"HIV":[38],"protease":[39],"inhibitors,":[40],"kinase":[41],"inhibitors":[42],"used":[43],"cancer":[45],"treatment,":[46],"creation":[49],"antiviral":[51],"medications":[52],"like":[53],"remdesivir":[54],"are":[55],"notable":[56],"examples.":[57],"Drug":[58],"efficacy":[59],"safety":[61],"have":[62,88],"improved":[65],"precise":[67],"molecular":[68],"modeling,":[69],"virtual":[70],"screening,":[71],"lead":[73],"made":[75],"possible":[76],"structure-based":[78],"ligand-based":[80],"techniques.":[81],"Predictive":[82],"accuracy":[83],"innovative":[85],"target":[86],"significantly":[90],"enhanced":[91],"combination":[94],"machine":[96],"learning":[97],"(ML)":[98],"artificial":[100],"intelligence":[101],"(AI).":[102],"These":[103],"developments":[104],"highlight":[105],"CADD's":[106],"revolutionary":[107],"potential":[108],"contemporary":[110],"development,":[112],"opening":[113],"door":[115],"to":[116],"more":[117],"effective":[118],"focused":[120],"treatments.":[121]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-08-13T00:00:00"}
