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Molecular Docking, Drug-Likeness Studies and ADMET Prediction of Quinoline Imines for Antimalarial Activity

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1TitleTitle of DocumentMolecular Docking, Drug-Likeness Studies and ADMET Prediction of Quinoline Imines for Antimalarial Activity
2CreatorAuthor's name, affiliation, country JAHNABI KALITA, DIPAK CHETIA and MITHUN RUDRAPAL*
Dept. of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh - 786 004, Assam, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords P. falciparum, Resistance, Falcipain 2, Quinoline imines, Antimalarial
4DescriptionAbstract A novel series of quinoline imines were designed by molecular manipulation approach using the principle of rational drug design. Newly designed quinoline imines were screened virtually for antimalarial effectiveness and also for drug-likeness using various in silico tools of drug design. The molecular docking was performed against P. falciparum parasite targeting specific cysteine protease falcipain 2 enzyme. In addition, drug-likeness and ADMET prediction studies were carried out using in silico tools. Our study reports antimalarial potential of novel quinoline imines as drug-like molecules which can be further developed as potent antimalarial agents (falcipain 2 inhibitors) possibly against resistant P. falciparum parasite.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2019.1569
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  8 , Number  (2), (2019)
12LanuguageEnglish=en en
13RelationSupp.files
14Coverage -
15CopyrightCopyright and permissions
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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