{"id":"https://openalex.org/W4417023381","doi":"https://doi.org/10.9734/bpi/cbrp/v8/6281","title":"In silico Docking Analysis of a Hydrazone Derivative of 2-Amino-4-Thiazoleacetic Acid Hydrazide as a Potential Antimalarial and Anticancer Agent","display_name":"In silico Docking Analysis of a Hydrazone Derivative of 2-Amino-4-Thiazoleacetic Acid Hydrazide as a Potential Antimalarial and Anticancer Agent","publication_year":2025,"publication_date":"2025-12-04","ids":{"openalex":"https://openalex.org/W4417023381","doi":"https://doi.org/10.9734/bpi/cbrp/v8/6281"},"language":"en","primary_location":{"id":"doi:10.9734/bpi/cbrp/v8/6281","doi":"https://doi.org/10.9734/bpi/cbrp/v8/6281","is_oa":false,"landing_page_url":"https://doi.org/10.9734/bpi/cbrp/v8/6281","pdf_url":null,"source":{"id":"https://openalex.org/S4306486234","display_name":"Book Publisher International (a part of SCIENCEDOMAIN International)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry and Biochemistry: Research Progress Vol. 8","raw_type":"book-chapter"},"volume":{"id":"https://openalex.org/W4417023411","display_name":"Chemistry and Biochemistry: Research Progress Vol. 8"},"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/A5064859551","display_name":"Ngozi Patricia Ebosie","orcid":"https://orcid.org/0000-0002-0701-2085","observed_orcids":["https://orcid.org/0000-0002-0701-2085"]},"institutions":[{"id":"https://openalex.org/I166934088","display_name":"Imo State University","ror":"https://ror.org/0257ekp23","country_code":"NG","type":"education","lineage":["https://openalex.org/I166934088"]}],"countries":["NG"],"is_corresponding":true,"raw_author_name":"Ngozi Patricia Ebosie","raw_affiliation_strings":["Department of Chemistry, Imo State University, Owerri, Nigeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Imo State University, Owerri, Nigeria","institution_ids":["https://openalex.org/I166934088"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012973196","display_name":"Beniah Obinna Isiuku","orcid":"https://orcid.org/0000-0002-5681-7170","observed_orcids":["https://orcid.org/0000-0002-5681-7170"]},"institutions":[{"id":"https://openalex.org/I166934088","display_name":"Imo State University","ror":"https://ror.org/0257ekp23","country_code":"NG","type":"education","lineage":["https://openalex.org/I166934088"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Beniah Obinna Isiuku","raw_affiliation_strings":["Department of Chemistry, Imo State University, Owerri, Nigeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Imo State University, Owerri, Nigeria","institution_ids":["https://openalex.org/I166934088"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5031341188","display_name":"Pauline Amaka Nnagbo","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I166934088","display_name":"Imo State University","ror":"https://ror.org/0257ekp23","country_code":"NG","type":"education","lineage":["https://openalex.org/I166934088"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Pauline Amaka Nnagbo","raw_affiliation_strings":["Department of Microbiology, Imo State University, Owerri, Nigeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Microbiology, Imo State University, Owerri, Nigeria","institution_ids":["https://openalex.org/I166934088"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5064859551"],"corresponding_institution_ids":["https://openalex.org/I166934088"],"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":"1","last_page":"31"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.3962000012397766,"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"}},"topics":[{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.3962000012397766,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.38109999895095825,"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.14249999821186066,"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/hydrazones","display_name":"hydrazones","score":0.9129999876022339},{"id":"https://openalex.org/keywords/antimalarial-drugs","display_name":"antimalarial drugs","score":0.925000011920929},{"id":"https://openalex.org/keywords/anticancer-agents","display_name":"anticancer agents","score":0.9990000128746033},{"id":"https://openalex.org/keywords/plasmodium-falciparum-lactate-dehydrogenase","display_name":"Plasmodium falciparum lactate dehydrogenase","score":0.9599999785423279},{"id":"https://openalex.org/keywords/dihydrofolate-reductase-thymidylate-synthase","display_name":"dihydrofolate reductase-thymidylate synthase","score":0.9760000109672546},{"id":"https://openalex.org/keywords/epidermal-growth-factor-receptor","display_name":"epidermal growth factor receptor","score":0.9769999980926514},{"id":"https://openalex.org/keywords/selective-androgen-receptor-modulators","display_name":"selective androgen receptor modulators","score":0.9789999723434448},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.921999990940094},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.7379999756813049},{"id":"https://openalex.org/keywords/4-methoxybenzaldehyde","display_name":"4-methoxybenzaldehyde","score":0.7670000195503235}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8651999831199646},{"id":"https://openalex.org/C2775998212","wikidata":"https://www.wikidata.org/wiki/Q419637","display_name":"Hydrazide","level":2,"score":0.7851999998092651},{"id":"https://openalex.org/C2780349576","wikidata":"https://www.wikidata.org/wiki/Q416007","display_name":"Hydrazone","level":2,"score":0.7432000041007996},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6378999948501587},{"id":"https://openalex.org/C41847442","wikidata":"https://www.wikidata.org/wiki/Q916723","display_name":"Lipinski's rule of five","level":4,"score":0.5787000060081482},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5713000297546387},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5429999828338623},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5088000297546387},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4896000027656555},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.4392000138759613},{"id":"https://openalex.org/C2908859342","wikidata":"https://www.wikidata.org/wiki/Q521616","display_name":"Antimalarial Agent","level":4,"score":0.4316999912261963},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.365200012922287},{"id":"https://openalex.org/C2776992834","wikidata":"https://www.wikidata.org/wiki/Q239569","display_name":"Amodiaquine","level":4,"score":0.3596999943256378},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.32919999957084656},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2761000096797943},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.2678999900817871},{"id":"https://openalex.org/C2777752112","wikidata":"https://www.wikidata.org/wiki/Q903238","display_name":"Lead compound","level":3,"score":0.2655999958515167},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2639000117778778},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.25850000977516174},{"id":"https://openalex.org/C2780538656","wikidata":"https://www.wikidata.org/wiki/Q528995","display_name":"Thiourea","level":2,"score":0.25200000405311584}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.9734/bpi/cbrp/v8/6281","doi":"https://doi.org/10.9734/bpi/cbrp/v8/6281","is_oa":false,"landing_page_url":"https://doi.org/10.9734/bpi/cbrp/v8/6281","pdf_url":null,"source":{"id":"https://openalex.org/S4306486234","display_name":"Book Publisher International (a part of SCIENCEDOMAIN International)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry and Biochemistry: Research Progress Vol. 8","raw_type":"book-chapter"},{"id":"pmh:oai:HAL:hal-05406034v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-05406034","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemistry and Biochemistry: Research Progress Vol. 8, BP International, pp.1-31, 2025","raw_type":"info:eu-repo/semantics/bookPart"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.8560000061988831,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"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/W4410135688","https://openalex.org/W2768257782","https://openalex.org/W1983623517","https://openalex.org/W4417266073","https://openalex.org/W2400036352","https://openalex.org/W4220900584","https://openalex.org/W4411698376","https://openalex.org/W3033715310","https://openalex.org/W7218610238","https://openalex.org/W4214944607"],"abstract_inverted_index":{"Hydrazide-hydrazones":[0],"have":[1],"recently":[2],"gained":[3],"great":[4],"importance":[5],"due":[6],"to":[7,24,33,242,278],"their":[8],"diverse":[9],"biological":[10],"properties,":[11],"including":[12],"anti-inflammatory,":[13],"antibacterial,":[14],"antifungal,":[15],"antituberculosis,":[16],"antimalarial":[17,41,106,228,250],"and":[18,26,32,42,133,145,157,189,211,251,267],"anticonvulsant":[19],"activities.":[20],"This":[21],"study":[22],"aimed":[23],"synthesise":[25],"characterise":[27],"a":[28,174,196,248],"hydrazone":[29,68],"compound":[30],"(ATAPH)":[31,71],"evaluate":[34],"its":[35,47,245],"in":[36,94,221,265,268],"silico":[37,95,222],"potential":[38,246],"as":[39,247],"an":[40],"anticancer":[43,135,234,252],"agent":[44],"by":[45,74],"investigating":[46],"interactions":[48],"with":[49,64,83],"selected":[50],"protein":[51],"targets.":[52],"2-amino-4-thiazoleacetic":[53,79],"acid":[54,80],"hydrazide":[55,81],"(ATAH)":[56,82],"was":[57,72,230],"prepared":[58],"from":[59],"the":[60,75,99,161,166,227,233,258,262],"reaction":[61,77],"of":[62,78,98,160,169,177,192,199,214,261,271],"ethyl-2-amino-4-thiazoleacetate":[63],"hydrazine":[65],"hydrate.":[66],"The":[67,85,93,154,220,254],"derivative,":[69],"2-(2-amino-1,3-thiazol-4-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide":[70],"synthesised":[73,86],"condensation":[76],"4-methoxybenzaldehyde.":[84],"compounds":[87,101,162,273],"were":[88,102,163],"characterised":[89],"using":[90,165],"spectro-analytical":[91],"methods.":[92],"docking":[96,223],"studies":[97,224],"synthesized":[100],"performed":[103],"against":[104],"some":[105,134],"targets;":[107,136],"P.":[108,116,125],"falciparum":[109,117,126],"lactase":[110],"dehydrogenase":[111,128],"(PfLDH)":[112],"(PDB":[113,122,130,142,151],"ID:":[114,123,131,143,152],"1U5A),":[115],"dihydrofolate":[118],"reductase-thymidylate":[119],"synthase":[120],"(PfDHFR-TS)":[121],"3UM8),":[124],"dihydrorotate":[127],"(PfDHODH)":[129],"6I55)":[132],"Epidermal":[137],"Growth":[138],"Factor":[139],"Receptor":[140,148],"(EGFR)":[141],"3POZ),":[144],"Selective":[146],"Androgen":[147],"Modulator":[149],"(SARM)":[150],"3V49).":[153],"oral":[155],"bioavailability":[156],"drug-like":[158,218],"properties":[159,256],"determined":[164],"Lipinski":[167],"rule":[168],"5":[170],"(RO5).":[171],"ATAH":[172],"has":[173,195],"molecular":[175,197],"weight":[176,198],"172.21,":[178],"3":[179,184],"hydrogen":[180,185,202,207],"bond":[181,186,203,208],"donors":[182,204],"(HBD),":[183,205],"acceptors":[187,209],"(HBA)":[188,210],"log":[190,212],"P":[191,213],"\u20130.58.":[193],"ATAPH":[194,236],"290.34,":[200],"2":[201],"4":[206],"1.61,":[215],"indicating":[216,244],"favourable":[217],"characteristics.":[219],"revealed":[225,257],"that":[226],"activity":[229],"higher":[231],"than":[232],"activity.":[235],"exhibited":[237],"better":[238],"binding":[239],"affinity":[240],"compared":[241],"ATAH,":[243],"promising":[249],"agent.":[253],"physicochemical":[255],"drug-likeness":[259],"ability":[260],"compounds.":[263],"Further":[264],"vitro":[266],"vivo":[269],"analysis":[270],"these":[272,280],"should":[274],"be":[275],"carried":[276],"out":[277],"validate":[279],"findings.":[281]},"counts_by_year":[],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2025-12-05T00:00:00"}
