01879nas a2200325   4500008004100000022001400041245012300055210006900178260007100247300001400318490000600332520075200338653002101090653002801111653001701139653002301156653003101179653001601210653001201226100002401238700001801262700002401280700001601304700002101320700002401341700002601365700001901391700002301410856012001433       2015                        eng d  a1948-587500aDesign and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors0 aDesign and synthesis of a focused library of diamino triazines a  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV  a1140-11440 v63 a<p>We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.</p>10aDiamino triazine10adihydrofolate reductase10aenzyme assay10amolecular modeling10aMycobacterium tuberculosis10aselectivity10asynergy1 aLele, Arundhati, C.1 aRaju, Archana1 aKhambete, Mihir, P.1 aRay, M., K.1 aRajan, M., G. R.1 aArkile, Manisha, A.1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman1 aDegani, Mariam, S.  uhttps://library.ncl.res.in/content/design-and-synthesis-focused-library-diamino-triazines-potential-mycobacterium-001370nas a2200145   4500008004100000245011400041210006900155260009000224520069800314100001801012700001901030700002601049700001901075856013001094       2015                        eng d00aHigh throughput screening of inhibitors for tuberculosis at NCL : a novel drug discovery initiative from CSIR0 aHigh throughput screening of inhibitors for tuberculosis at NCL   aCSIR-National Chemical Laboratory, PunebCSIR-National Chemical Laboratory, PunecSEP3 a<p>Discover and develop novel drugs that are effective at curing latent, drug sensitive and drug resistant TB Study the biology of tuberculosis bacilli in great detail to identify new metabolic pathways that may be vulnerable to drugs Test thousands of potential drugs in our screening facility to find new compounds or new compound classes that kill TB bacteria Increase throughput up to 20,000 compounds at a time Develop novel screens using conditions that mimic those the TB bacteria encounters in the human body Utilize medical chemistry to optimize the structures of compounds so that they kill TB bacteria in a more potent fashion and are non-toxic Meet the challenges from industry</p>1 aManek, Hardik1 aNawale, Laxman1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/high-throughput-screening-inhibitors-tuberculosis-ncl-novel-drug-discovery-initiative-csir01535nas a2200241   4500008004100000022001400041245010100055210006900156260000800225300001400233490000600247520070700253100002500960700002500985700002101010700002201031700002301053700002401076700002601100700002301126700001901149856012501168       2015                        eng d  a2040-250300aSynthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents0 aSynthesis and evaluation of thieno23dpyrimidin43Hones as potenti  cAUG  a2209-22150 v63 a<p>A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.</p>1 aBorate, Hanumant, B.1 aAnnadate, Ritesh, A.1 aVagh, Sandip, S.1 aPisal, Mahesh, M.1 aDeokate, Sagar, B.1 aArkile, Manisha, A.1 aJadhav, Nandadeep, J.1 aNawale, Laxman, U.1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/synthesis-and-evaluation-thieno23-dpyrimidin-43h-ones-potential-antitubercular-agents02397nas a2200301   4500008004100000022001400041245012900055210006900184260010600253300001200359490000700371520132200378653000601700653000601706653001501712653002001727653001601747653001901763653001801782100002401800700003001824700002401854700002301878700002601901700001901927700002601946856012301972       2016                        eng d  a0960-894X00aSynthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent0 aSynthesis and bioactivity of novel triazole incorporated benzoth  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN  a561-5690 v263 a<p>In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.</p>10a110a210a3-Triazole10aADME prediction10aAntioxidant10aAntitubercular10aDocking study1 aShaikh, Mubarak, H.1 aSubhedar, Dnyaneshwar, D.1 aArkile, Manisha, A.1 aKhedkar, Vijay, M.1 aJadhav, Nandadeep, J.1 aSarkar, Dhiman1 aShingate, Bapurao, B.  uhttps://library.ncl.res.in/content/synthesis-and-bioactivity-novel-triazole-incorporated-benzothiazinone-derivatives-000941nas a2200229   4500008004100000022001400041245012400055210006900179260011000248300000800358490000600366100002500372700002500397700002100422700002200443700002300465700002400488700002600512700002300538700001900561856013100580       2016                        eng d  a2040-250300aSynthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)0 aSynthesis and evaluation of thieno23dpyrimidin43Hones as potenti  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC  a3790 v71 aBorate, Hanumant, B.1 aAnnadate, Ritesh, A.1 aVagh, Sandip, S.1 aPisal, Mahesh, M.1 aDeokate, Sagar, B.1 aArkile, Manisha, A.1 aJadhav, Nandadeep, J.1 aNawale, Laxman, U.1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/synthesis-and-evaluation-thieno23-dpyrimidin-43h-ones-potential-antitubercular-agents-vol-1