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In view of this we have attempted to discover novel DNA minor groove binders through <jats:italic>in-silico<\/jats:italic> and <jats:italic>in-vitro<\/jats:italic> workflow. A rigorously validated pharmacophore model comprising of two positive ionizable (PI), one hydrophobic (HY) and one ring aromatic (RA) features was used to mine NCI chemical compound database. This led to retrieval of many hits which were screened on the basis of estimated activity, fit value and Lipinski\u2019s violation. Finally two compounds NSC639017 and NSC371488 were evaluated for their <jats:italic>in-vitro<\/jats:italic> anti-malarial activities against <jats:italic>Plasmodium falciparum<\/jats:italic> 3D7 (CQ sensitive) and K1 (CQ resistant) strains by SYBR green-I based fluorescence assay. The results revealed that out of two, NSC639017 posses excellent anti-malarial activity particularly against chloroquine resistant strain and moreover NSC639017 also appeared to be safe (CC<jats:sub>50<\/jats:sub> 126.04\u2009\u03bcg\/ml) and selective during cytotoxicity evaluation.<\/jats:p>","DOI":"10.1038\/srep13838","type":"journal-article","created":{"date-parts":[[2015,9,8]],"date-time":"2015-09-08T09:36:08Z","timestamp":1441704968000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["Discovery of a selective, safe and novel anti-malarial compound with activity against chloroquine resistant strain of Plasmodium falciparum"],"prefix":"10.1038","volume":"5","author":[{"given":"Ankita","family":"Agarwal","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sarvesh","family":"Paliwal","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruchi","family":"Mishra","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Swapnil","family":"Sharma","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anil","family":"Kumar Dwivedi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Renu","family":"Tripathi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sarika","family":"Gunjan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2015,9,8]]},"reference":[{"key":"BFsrep13838_CR1","doi-asserted-by":"publisher","first-page":"413","DOI":"10.1016\/S0140-6736(12)60034-8","volume":"379","author":"CJ Murray","year":"2012","unstructured":"Murray, C. 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