{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,15]],"date-time":"2025-12-15T14:02:21Z","timestamp":1765807341683},"reference-count":46,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2016,1,24]],"date-time":"2016-01-24T00:00:00Z","timestamp":1453593600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"name":"Australian National Health and Medical Research Council (NHMRC)","award":["1025150"],"award-info":[{"award-number":["1025150"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J of Molecular Recognition"],"published-print":{"date-parts":[[2016,6]]},"abstract":"<jats:p><jats:italic>Plasmodium falciparum<\/jats:italic> apical membrane antigen 1 (<jats:italic>Pf<\/jats:italic>AMA1) plays an important role in the invasion by merozoites of human red blood cells during a malaria infection. A key region of <jats:italic>Pf<\/jats:italic>AMA1 is a conserved hydrophobic cleft formed by 12 hydrophobic residues. As anti\u2010apical membrane antigen 1 antibodies and other inhibitory molecules that target this hydrophobic cleft are able to block the invasion process, <jats:italic>Pf<\/jats:italic>AMA1 is an attractive target for the development of strain\u2010transcending antimalarial agents. As solution nuclear magnetic resonance spectroscopy is a valuable technique for the rapid characterization of protein\u2013ligand interactions, we have determined the sequence\u2010specific backbone assignments for <jats:italic>Pf<\/jats:italic>AMA1 from two <jats:italic>P.\u2009falciparum<\/jats:italic> strains, FVO and 3D7. Both selective labelling and unlabelling strategies were used to complement triple\u2010resonance experiments in order to facilitate the assignment process. We have then used these assignments for mapping the binding sites for small molecules, including benzimidazoles, pyrazoles and 2\u2010aminothiazoles, which were selected on the basis of their affinities measured from surface plasmon resonance binding experiments. Among the compounds tested, benzimidazoles showed binding to a similar region on both FVO and 3D7 <jats:italic>Pf<\/jats:italic>AMA1, suggesting that these compounds are promising scaffolds for the development of novel <jats:italic>Pf<\/jats:italic>AMA1 inhibitors. Copyright \u00a9 2016 John Wiley &amp; Sons, Ltd.<\/jats:p>","DOI":"10.1002\/jmr.2529","type":"journal-article","created":{"date-parts":[[2016,1,25]],"date-time":"2016-01-25T05:08:46Z","timestamp":1453698526000},"page":"281-291","source":"Crossref","is-referenced-by-count":9,"title":["Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials"],"prefix":"10.1002","volume":"29","author":[{"given":"Bankala","family":"Krishnarjuna","sequence":"first","affiliation":[{"name":"Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences Monash University  381 Royal Parade Parkville Victoria 3052 Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"San Sui","family":"Lim","sequence":"additional","affiliation":[{"name":"Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences Monash University  381 Royal Parade Parkville Victoria 3052 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