{"id":1268,"date":"2013-12-31T13:40:29","date_gmt":"2013-12-31T08:10:29","guid":{"rendered":"http:\/\/npaa.in\/journal-ijta\/?p=1268"},"modified":"2019-01-05T17:00:03","modified_gmt":"2019-01-05T11:30:03","slug":"in-silico-molecular-docking-and-adme-toxicity-studies-on-quinacrine-derivatives-against-ns5-methyltransferase-of-dengue-virus","status":"publish","type":"post","link":"https:\/\/npaa.in\/journal-ijta\/2013\/12\/31\/in-silico-molecular-docking-and-adme-toxicity-studies-on-quinacrine-derivatives-against-ns5-methyltransferase-of-dengue-virus\/","title":{"rendered":"In silico molecular docking and ADME-toxicity studies on Quinacrine derivatives against NS5-methyltransferase of dengue virus"},"content":{"rendered":"\n<p><strong>Amit Mohan and Neetu Kirti<\/strong><\/p>\n\n\n\n<p><strong>ABSTRACT<\/strong><\/p>\n\n\n\n<p>Dengue is a standout\namongst the most vital mosquito-borne viral infections on the planet, and is\nendemic in roughly 120 nations. Dengue fever is showed as a weakening infection\nin more seasoned youngsters, youths, and grown-ups. In this work, we screened Quinacrine\nderivatives from PubChem compound database and docked with\nNS5-methyltransferase of dengue virus. Among docked compounds, we got two\nbest-predicted compound CID 217476 and CID 71471828 having binding affinity\n-7.34 kcal\/mol and -7.76 kcal\/mol with NS5-methyltransferase. This predicted\ncompound was evaluated by preADMET tool for ADME-toxicity properties. Predicted\ncompounds had good result in oral administration. HIA value of compounds\nbelongs in the range of well-absorbed compounds. PCaCO2 value of compounds\nbelongs in standard range. Skin permeability of compound had negative value and\nstrongly binds to plasma proteins. The Ames test result predicted that compound\nwas mutagenic and carcinogenicity showed that compound had positive value in\nmouse and negative value in rat. <\/p>\n\n\n\n<p><strong>Keywords<\/strong>: Quinacrine derivatives; NS5-methyltransferase; Dengue virus; ADME\/Tox.<\/p>\n\n\n\n<p><a href=\"https:\/\/npaa.in\/journal-ijta\/admin\/ufile\/1390923362IJTA_14_29-35.pdf\">PDF<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Amit Mohan and Neetu Kirti ABSTRACT Dengue is a standout amongst the most vital mosquito-borne viral infections on the planet, &hellip; <\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[],"tags":[],"class_list":["post-1268","post","type-post","status-publish","format-standard","hentry"],"_links":{"self":[{"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/posts\/1268","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/comments?post=1268"}],"version-history":[{"count":1,"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/posts\/1268\/revisions"}],"predecessor-version":[{"id":1269,"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/posts\/1268\/revisions\/1269"}],"wp:attachment":[{"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/media?parent=1268"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/categories?post=1268"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/npaa.in\/journal-ijta\/wp-json\/wp\/v2\/tags?post=1268"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}