00768nas a2200193   4500008004100000245016500041210006900206260000800275300001400283490000700297100002300304700002200327700002000349700002800369700001900397700002000416700001900436856011900455       2017                        eng d00aClick-chemistry-based multicomponent condensation approach for design and synthesis of spirochromene-tethered 1,2,3-triazoles as potential antitubercular agents0 aClickchemistrybased multicomponent condensation approach for des  cOCT  a5675-56900 v431 aChavan, Pramod, V.1 aPandit, Kapil, S.1 aDesai, Uday, V.1 aWadgaonkar, Prakash, P.1 aNawale, Laxman1 aBhansali, Sujit1 aSarkar, Dhiman  uhttps://library.ncl.res.in/content/click-chemistry-based-multicomponent-condensation-approach-design-and-synthesis01753nas a2200229   4500008004100000245008300041210006900124260000800193300001200201490000800213520098800221100002301209700002101232700002401253700002501277700002501302700002001327700001901347700001901366700002301385856011501408       2017                        eng d00aSynthesis and antimycobacterial screening of new thiazolyl-oxazole derivatives0 aSynthesis and antimycobacterial screening of new thiazolyloxazol  cMAY  a333-3400 v1323 a<p>In the present study a series of 4-methyl-2-aryl-5-(2-aryl/benzyl thiazol-4-yl) oxazole (4a-v) have been synthesized and evaluated for their preliminary antitubercular, antimicrobial and cytotoxicity activity. Among all the synthesized compounds, 4v reported comparable activity against dormant M. tuberculosis H37Ra and M. bovis BCG strains with respect to standard drug rifampicin. The active compounds from the antitubercular study were further tested for anti-proliferative activity against HeLa, A549 and PANC-1 cell lines using MU assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activities with MIC range of 2.1-26.8 mu g/mL. High potency, lower cytotoxicity and promising antimycobacterial activity suggested that these compounds could serve as good leads for further optimisation and development. (C) 2017 Elsevier Masson SAS. All rights reserved.</p>1 aAbhale, Yogita, K.1 aSasane, Amit, V.1 aChavan, Abhijit, P.1 aShekh, Saddam, Husen1 aDeshmukh, Keshav, K.1 aBhansali, Sujit1 aNawale, Laxman1 aSarkar, Dhiman1 aMhaske, Pravin, C.  uhttps://library.ncl.res.in/content/synthesis-and-antimycobacterial-screening-new-thiazolyl-oxazole-derivatives02025nas a2200193   4500008004100000245018300041210006900224260000800293300001200301490000800313520126100321100001801582700001701600700002001617700002301637700001901660700002001679856013201699       2018                        eng d00aDesign, synthesis, docking studies and biological screening of 2-thiazolyl substituted-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines as potent HIV-1 reverse transcriptase inhibitors0 aDesign synthesis docking studies and biological screening of 2th  cSEP  a310-3190 v1573 a1,3-oxazine nucleus and thiazolyl group features prominently in many biologically important natural products as well as bioactive molecules. A series of novel 2-thiazolyl substituted-2,3-dihydro-1H-naphtho [1,2-e][1,3]oxazine derivatives were designed and synthesized based on their structure-activity relationships (SARs) from 2-naphthol, substituted thiazolyl amines and formalin through ring closure by one-pot three component reaction. These derivatives were first evaluated for their inhibitory effect on HIV-1 Reverse Transcriptase (RT) enzyme activity. Out of 14 compounds, 4 showed potent inhibition of HIV-1 RT activity at significantly low concentration. Docking studies of these molecules revealed their high affinity binding to several amino acids of HIV-1 RT which are less sensitive to point mutations. Furthermore, anti-HIV activity of these molecules was analysed in a CD4(+) T cell-line, which indicates that Therapeutic Index (TI) of some of these compounds is better than Zidovudine and Efavirenz, known HIV-1 RT inhibitors. Taken together, our studies report for the first time some novel naphthoxazine derivatives with significant TI, which is through inhibition of HIV-1 RT activity. (C) 2018 Elsevier Masson SAS. All rights reserved.1 aGawali, Rakhi1 aTrivedi, Jay1 aBhansali, Sujit1 aBhosale, Raghunath1 aSarkar, Dhiman1 aMitra, Debashis  uhttps://library.ncl.res.in/content/design-synthesis-docking-studies-and-biological-screening-2-thiazolyl-substituted-23-dihydro02635nas a2200277   4500008004100000022001400041245014100055210006900196260000900265300001400274490000600288520167100294653002101965653002001986653002002006653001502026653002202041100002502063700002302088700002302111700002402134700002002158700001902178700002802197856013202225       2019                        eng d  a2365-654900aDesign and synthesis of 2-amino-thiophene-proline-conjugates and their anti-tubercular activity against mycobacterium tuberculosis H37Ra0 aDesign and synthesis of 2aminothiopheneprolineconjugates and the  cMAR   a2851-28570 v43 a<p>The emergence of extensively drug resistant tuberculosis (XDRTB) and multi-drug resistant tuberculosis (MDR-TB) has necessitated the development of new drugs with short chemotherapy treatment regime and cost effectiveness. To overcome these challenges, we are reporting the synthesis of a series of 2-amino-thiophene-proline-conjugates which show potent invino and ex-vivo anti-tubercular (anti-TB) activity against mycobacterium tuberculosis (rntb) H37Ra. The synthesis of these 2-amino-thiophene-proline-conjugates was carried out via solution phase peptide coupling reactions using methyl-2aminothiophene-3-carboxylate 8 as an intermediate obtained by modified gewald reaction. Intermediate 8 was coupled with different amino acids to obtain dipeptides 3, 4, 5, 6a and 7. Priliminary anti-TB assay data encoureaged us to synthesize modified proline derivatives 6b-6k via formation of a benzoxazinone intermediate 16. Most of these conjugates are active against mtb H37Ra in both active (A) and dormant (D) strains. They are also active against drug resistant mtb H37Ra strains. A trifluoroethyl ester analog, 6i was the most potent among the series [MIC 1 mu g/mL] along with 6f and 6g [MIC 2-6 mu g/mL]. Cytotoxicity studies suggested that, these compounds are less cytotoxic to human cell lines HeLa, MCF-7, HUVEC and hence possess high selectivity index (SI). Docking studies revealed that the binding mode of most active compounds 6i, 6g and 6f is in accordance with their bioactivity studies having docking score 8.969, 8.446 and 7.865, respectively. More- over, in sllico ADME properties suggest that all the compounds possess drug like properties.</p>
10a2-aminothiophene10aAnti-tubercular10adocking studies10aInh A gene10aselectivity index1 aBaravkar, Sachin, B.1 aWagh, Mahendra, A.1 aNawale, Laxman, U.1 aChoudhari, Amit, S.1 aBhansali, Sujit1 aSarkar, Dhiman1 aSanjayan, Gangadhar, J.  uhttps://library.ncl.res.in/content/design-and-synthesis-2-amino-thiophene-proline-conjugates-and-their-anti-tubercular-activity