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In this concern, in the present study, some quinoline hydrazone derivatives (<jats:bold>6a\u20136o<\/jats:bold>) have been synthesized and evaluated as antimicrobial and antimalarial agents. Compound <jats:bold>6o<\/jats:bold> is observed to be the most active and presented equipotent antibacterial activity (MIC\u2009=\u20096.25\u2009\u03bcg\u2009mL<jats:sup>\u22121<\/jats:sup>) as the standard drug ofloxacin against <jats:italic>Escherichia coli<\/jats:italic> and <jats:italic>Pseudomonas aeruginosa<\/jats:italic>. Antimalarial activity showed that compound <jats:bold>6g<\/jats:bold> exhibits maximum inhibitory action (IC<jats:sub>50<\/jats:sub>\u2009=\u20090.56\u2009\u03bcg\u2009mL<jats:sup>\u22121<\/jats:sup>) and is significant in contrast to standard drugs chloroquine (IC<jats:sub>50<\/jats:sub>\u2009=\u20090.020\u2009\u03bcg\u2009mL<jats:sup>\u22121<\/jats:sup>) and quinine (IC<jats:sub>50<\/jats:sub>\u2009=\u20090.268\u2009\u03bcg\u2009mL<jats:sup>\u22121<\/jats:sup>) against <jats:italic>Plasmodium falciparum.<\/jats:italic> Density functional theory analysis evaluates the chemical reactivity of molecular orbitals of the most active compounds <jats:bold>6g<\/jats:bold> and <jats:bold>6o<\/jats:bold>. Furthermore, molecular docking study showed that most active antimalarial (<jats:bold>6g<\/jats:bold>) and antimicrobial (<jats:bold>6o<\/jats:bold>) compounds exhibit potent interactions with targeted enzymes (lactate dehydrogenase and dihydrofolate reductase (DHFR), respectively). In silico drug\u2010likeness parameters and absorption, distribution, metabolism, excretion, and toxicity study indicate that all the synthesized derivatives followed the acceptance criteria. The present study emphasizes that compounds <jats:bold>6g<\/jats:bold> (antimalarial) and <jats:bold>6o<\/jats:bold> (antimicrobial) can be developed as novel inhibitors against lactate dehydrogenase and DHFR enzyme, respectively, on the completion of drug discovery approaches.<\/jats:p>","DOI":"10.1002\/cmdc.202500283","type":"journal-article","created":{"date-parts":[[2025,6,26]],"date-time":"2025-06-26T05:50:33Z","timestamp":1750917033000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Design, Synthesis, Antimicrobial, and Antimalarial Evaluation of Quinoline Hydrazone Derivatives: Insight through Density Functional Theory Analysis, Molecular Docking, and Absorption, Distribution, Metabolism, Excretion, and Toxicity Predictions"],"prefix":"10.1002","volume":"20","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9729-5818","authenticated-orcid":false,"given":"Sangeeta","family":"Verma","sequence":"first","affiliation":[{"name":"Institute of Pharmaceutical Sciences Kurukshetra University  Kurukshetra Haryana 136119 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4668-7712","authenticated-orcid":false,"given":"Sukhbir","family":"Lal","sequence":"additional","affiliation":[{"name":"Institute of Pharmaceutical Sciences Kurukshetra University  Kurukshetra Haryana 136119 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8411-3146","authenticated-orcid":false,"given":"Rakesh","family":"Narang","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences Gurugram University  Gurugram Haryana 122003 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ritu","family":"Badal","sequence":"additional","affiliation":[{"name":"Department of Biotechnology Kurukshetra University  Kurukshetra Haryana 136119 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Raman","family":"Saini","sequence":"additional","affiliation":[{"name":"Department of Biotechnology Kurukshetra University  Kurukshetra Haryana 136119 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4037-5475","authenticated-orcid":false,"given":"Somdutt","family":"Mujwar","sequence":"additional","affiliation":[{"name":"Chitkara College of Pharmacy Chitkara University  Rajpura Punjab 140401 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,7,22]]},"reference":[{"key":"e_1_2_9_2_1","volume-title":"Principles of Infectious Diseases: Transmission, Diagnosis, Prevention, and Control","author":"Van Seventer J. 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