Design, Synthesis, Molecular Docking and In-vitro Antimalarial Activity of 7-chloro-4-aminoquinoline Substituted Analogues

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dc.contributor.authorMandloi, Nileshen_US
dc.contributor.authorDeshmukh, Nitinen_US
dc.contributor.authorPatidar, Bhoopendraen_US
dc.contributor.authorPillai, Sujiten_US
dc.date.accessioned2024-09-24T08:59:19Z
dc.date.accessioned2024-09-24T11:51:37Z
dc.date.available2024-09-24T08:59:19Z
dc.date.available2024-09-24T11:51:37Z
dc.date.issued2023-02
dc.description.abstractIn present work new series of 7-chloro-4-aminoquinoline analogs were designed to discover chemically diverse antimalarial leads. The widely used computational tool molecular docking is applied to study molecular recognition, which aims to predict analogs’ binding mode and binding affinity to the active site. The potential binding of the selected analogs to the Plasmodium falciparum lactate dehydrogenase enzyme (PfLDH) active site was analyzed using SYBYL X2.0 software running on a core-2 duo Intel processor workstation. Compounds F5, F9 and F1 showed highest binding affinity in term of total scores 9.50, 7.86 and 7.01, respectively. Analogs with the best dock score were synthesized and evaluated for antimalarial potential against chloroquine sensitive RKL-2 strain. Compounds F5, F28 and F9 showed good antimalarial activity in term of MIC50 value 0.35, 0.45 and 0.56 ?g/mL, respectively. Further optimization and exploration of 7-chloro-4-aminoquinoline lead could be useful to identify novel, antimalarial molecules.en_US
dc.identifier.affiliationsGRY Institute of Pharmacy, Borawan, Khargone-451228, Madhya Pradesh, Indiaen_US
dc.identifier.affiliationsGRY Institute of Pharmacy, Borawan, Khargone-451228, Madhya Pradesh, Indiaen_US
dc.identifier.affiliationsGRY Institute of Pharmacy, Borawan, Khargone-451228, Madhya Pradesh, Indiaen_US
dc.identifier.affiliationsGRY Institute of Pharmacy, Borawan, Khargone-451228, Madhya Pradesh, Indiaen_US
dc.identifier.citationMandloi Nilesh, Deshmukh Nitin, Patidar Bhoopendra, Pillai Sujit. Design, Synthesis, Molecular Docking and In-vitro Antimalarial Activity of 7-chloro-4-aminoquinoline Substituted Analogues . International Journal of Pharmaceutical Sciences and Drug Research . 2023 Jan; 15(1): 12-18en_US
dc.identifier.issn0975–248X
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/231661
dc.languageenen_US
dc.publisherMRI Publication Pvt. Ltd.en_US
dc.relation.issuenumber1en_US
dc.relation.volume15en_US
dc.source.urihttps://doi.org/10.25004/IJPSDR.2023.150102en_US
dc.subject7-substituted 4-aminoquinoline derivativesen_US
dc.subjectAntimalarial activityen_US
dc.subjectPfLDHen_US
dc.subjectMolecular Dockingen_US
dc.titleDesign, Synthesis, Molecular Docking and In-vitro Antimalarial Activity of 7-chloro-4-aminoquinoline Substituted Analoguesen_US
dc.typeJournal Articleen_US
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