@article { ISI:000367329700060, title = {Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {2}, year = {2016}, month = {JAN}, pages = {561-569}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antioxidant, Antitubercular, Docking study}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.11.071}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Arkile, Manisha A. and Khedkar, Vijay M. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article { ISI:000371304100018, title = {Synthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {790-804}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

A series of new coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular activity in vitro against Mycobacterium tuberculosis H37Ra, antioxidant activity by DPPH radical scavenging assay, antimicrobial activity in vitro against three gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus and Bacillus cereus) and three gram-negative bacteria (Escherichia coli, Pseudomonas fluorescens and Flavobacterium devorans as well as three fungi (Aspergillus niger, Penicillium chrysogenum and Curvularia lunata). The bioactive assay showed that some synthesized coumarin triazoles displayed comparable or even better antitubercular, antioxidant, antibacterial and antifungal efficacy in comparison with reference drugs. Furthermore, docking study has been performed against DprE1 enzyme of M. tuberculosis that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates. New coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular, antioxidant, antibacterial and antifungal activity. Some of the coumarin-based triazole derivatives displayed comparable or even better efficacy in comparison with reference drugs. Molecular docking study has been performed against DprE1 enzyme of Mycobacterium tuberculosis showed good binding interactions. [GRAPHICS] .

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Antitubercular, Click chemistry, Docking study}, issn = {1054-2523}, doi = {10.1007/s00044-016-1519-9}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Shingate, Bapurao B. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Nawale, Laxman and Sarkar, Dhiman and Navale, Govinda R. and Shinde, Sandip S.} } @article {44197, title = {Synthesis and biological evaluation of new 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1247-1260}, type = {Article}, abstract = {

A series of 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives (8a-p) have been synthesized. The structure of the newly synthesized compounds was determined by spectral analysis. The title compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Further, the synthesized compounds were screened for antimicrobial activity against standard Gram-negative bacteria Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059) and Gram-positive bacteria Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162). Among all the synthesized compounds, 8a-c, f-h, m exhibited good activity against dormant M. bovis BCG strain. Compounds 8h, j exhibited good activity against all tested bacterial strains. All active compounds were screened for cytotoxicity and found inactive. Their high potency and promising antimycobacterial activity suggest that these compounds could serve as good leads for further optimization and development.

}, keywords = {1, 2, 3-Triazole, antibacterial activity, Antitubercular activity, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-017-3164-4}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Nawale, Laxman and Sarkar, Dhiman} } @article {46012, title = {Synthesis and antimycobacterial evaluation of new 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {JUN}, pages = {805-819}, type = {Article}, abstract = {

A new series of 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives, 6a-w have been synthesized by click reaction of substituted benzylazide, 5a-d with 5-ethynyl-4-methyl-2-substituted phenylthiazole, 4a-f. The starting compounds 4-ethynyl-2-substituted phenylthiazole (4a-f) were synthesized from the corresponding thiazole aldehyde by using the Ohira-Bestmann reagent. The structure of the synthesized compounds was determined by spectral analysis. All the synthesized compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177). Most of the synthesized compounds reported good activity against M. tuberculosis H37Ra strain with IC50 range of 0.58-8.23 mu g/mL. Compounds 6g and 6k reported good antitubercular activity with MIC90 values of 4.71 and 2.22 mu g/mL, respectively. Potential antimycobacterial activity suggested that these compounds could serve as good lead compounds for further optimization and development of a newer antitubercular candidate. [GRAPHICS] .

}, keywords = {1, 2, 3-Triazole, Antitubercular activity, Molecular docking, Ohira-Bestmann reagent, Thiazole}, issn = {1054-2523}, doi = {10.1007/s00044-019-02310-y}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Chakraborty, Shakti and Choudhari, Amit and Phalle, Siddharth and Choudhari, Prafulla and Sarkar, Dhiman} } @article {46711, title = {Tetrazoloquinoline-1,2,3-triazole derivatives as antimicrobial agents: synthesis, biological evaluation and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {SEP}, pages = {1920-1941}, type = {Article}, abstract = {

In search of new active molecules, a small focused library of tetrazoloquinoline-based 1,2,3-triazoles has been efficiently preparedviaclick chemistry approach. Several derivatives were found to be exhibiting promising antimicrobial and antioxidant activity characterized by their lower minimum inhibitory concentration values. All the synthesized compounds exhibited excellent antibacterial activity against Gram negative bacteriaE. coliandF. devoransand antifungal activity againstC. albicansandA. niger. Further, these compounds were tested for their antitubercular activity against dormantMTB H37Raand dormantM. bovis BCGusing XRMA assay protocol and showed no significant activity. Also, the synthesized compounds were found to have potential antioxidant activity with IC(50)range = 12.48-50.20 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against the active site of fungalC. albicansenzyme P450 cytochrome lanosterol 14 alpha-demethylase, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of thein vitroandin silicostudy suggest that the triazole-incorporated tetrazoloquinolines may possess the ideal structural requirements for further development of novel therapeutic agents.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Docking study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1821229}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Akolkar, Satish V. and Nagargoje, Amol A. and Khedkar, Vijay M. and Sarkar, Dhiman and Shingate, Bapurao B.} }