02398nas a2200301   4500008004100000022001400041245011400055210006900169260000800238300001400246490000700260520143100267653002001698653002901718653001901747653001901766653000901785653002701794100002001821700001901841700002101860700001801881700002001899700001901919700002001938700001901958856011901977       2019                        eng d  a1570-180800aRecursive partitioning analysis and anti-tubercular screening of 3-aminopyrazine-2-carbohydrazide derivatives0 aRecursive partitioning analysis and antitubercular screening of   cAPR  a1264-12750 v163 a<p>Background: Treating tuberculosis is a challenge due to the development of drug resistance. Hence, it is imperative to develop novel leads having high potency and efficacy to curb drug resistance. Methods: The present research work is focused on microwave-assisted synthesis of novel twenty-six 3-amino-N'-benzylidenepyrazine-2-carbohydrazide derivatives (3a-z), where, lyophilization technique was used for isolation of the major intermediate, 3-aminopyrazin-2-carbohydrazide. All synthesized compounds were subjected for anti-tubercular screening against Mycobacterium tuberculosis H37Ra by using XTT Reduction Menadione Assay (XRMA) protocol. Results: Out of 26 synthesized compounds, four N'-substitutedbenzaldehyde-3-amino-pyrazine-2-carbohydrazide derivatives viz. 3i, 3j 3v and 3z showed significant activity against M. tuberculosis H37Ra. The compounds 3i, 3j, 3v and 3z showed 99, 98, 92 and 87 % inhibition respectively as compared to 94% inhibition shown by the standard drug rifampicin. The MIC and IC50 values were in the range of 24.3-110 and 5.9-20.8 mu g/ml respectively. Conclusion: A classification model called Recursive Partitioning (RP) based on binary Quantitative Structure-Activity Relationship (QSAR) was derived for the establishment of structure-activity relationship (SAR). The predictions derived on the basis of RP model were found to be in agreement with anti-tubercular screening data.</p>
10a3-aminopyrazine10aanti-tubercular activity10aCarbohydrazide10alyophilization10aQSAR10arecursive partitioning1 aMiniyar, Pankaj1 aMahajan, Anand1 aAnuse, Dattatray1 aKumar, Ashish1 aBarmade, Mahesh1 aSarkar, Dhiman1 aArkile, Manisha1 aKhedkar, Vijay  uhttps://library.ncl.res.in/content/recursive-partitioning-analysis-and-anti-tubercular-screening-3-aminopyrazine-201948nas a2200253   4500008004100000022001400041245013400055210006900189260000800258300001400266490000700280520102600287653002901313653002201342653002701364653003001391653002001421100002601441700002301467700002701490700002401517700002601541856012701567       2023                        eng d  a1381-199100aDesign and synthesis of novel quinazolinyl-bisspirooxindoles as potent anti-tubercular agents: an ultrasound-promoted methodology0 aDesign and synthesis of novel quinazolinylbisspirooxindoles as p  cJUN  a1427-14360 v273 a<p>
	The essential need for the potent anti-tubercular (anti-TB) agents with high selectivity and safety profile prompted us to synthesize a new series of quinazolinyl-bisspirooxindoles. The title compounds were synthesized by one-pot multicomponent [3 +2] cycloaddition reaction under ultrasonication. Further, in vitro anti-TB activity was evaluated against Mycobacterium tuberculosis H37Rv. Among the screened compounds, two compounds (4q and 4x) showed potent activity with MIC value 1.56 mu g/mL and four compounds exhibited significant activity (MIC =3.125 mu g/mL), and also cytotoxicity studies against RAW 264.7 cell lines reveal that most active compounds were less toxic to humans. In addition, in order to demonstrate the inhibitory properties, molecular docking studies were carried out and the results showed that the target compounds have good binding energy and better binding affinity within the active pocket, thus these compounds may consider to be as potent inhibitors toward selective targets.</p>
10aanti-tubercular activity10abisspirooxindoles10aCytotoxicity screening10aMolecular docking studies10aultrasonication1 aAllaka, Bhargava, Sai1 aBasavoju, Srinivas1 aRekha, Estharla, Madhu1 aSriram, Dharmarajan1 aKrishna, Gamidi, Rama  uhttps://library.ncl.res.in/content/design-and-synthesis-novel-quinazolinyl-bisspirooxindoles-potent-anti-tubercular-agents