01404nas a2200241 4500008004100000022001400041245008500055210006900140260000800209300001600217490000600233520059500239653003300834653001500867653002200882653003500904653001800939653002600957100002600983700002301009700002601032856010401058 2020 eng d a2365-654900aGreen catalyst Fe(OTs)(3)/SiO2 for the synthesis of 4-Pyrrolo-12-oxoquinazolines0 aGreen catalyst FeOTs3SiO2 for the synthesis of 4Pyrrolo12oxoquin cDEC a14721-147280 v53 a

An efficient and eco-friendly diversity-oriented synthetic protocol has been presented to synthesize structurally versatile drug-like molecules under solvent-free grinding in the presence of Fe(OTs)(3)/SiO2 as a catalyst. The use of Fe(OTs)(3)/SiO2 as a recyclable and reusable catalyst has been explored in the synthetic domino protocol involving one-pot, three component reaction for the synthesis of 4-pyrrolo-12-oxoquinazolines with special features of the protocol like high atom-economy, operational simplicity, short reaction time and high selectivity with excellent yields.

10a4-Pyrrolo-12-oxoquinazolines10aFe(OTs)(3)10aGreen methodology10aLiquid Assisted Grinding (LAG)10aSiO2 catalyst10aSolvent-free grinding1 aAllaka, Bhargava, Sai1 aBasavoju, Srinivas1 aKrishna, Gamidi, Rama uhttps://library.ncl.res.in/content/green-catalyst-feots3sio2-synthesis-4-pyrrolo-12-oxoquinazolines01342nas a2200265 4500008004100000022001400041245014000055210006900195260000800264300001500272490000600287520042800293653000600721653000600727653003100733653001800764653002800782653001700810653002100827653002600848100002600874700002300900700002600923856012700949 2022 eng d a2365-654900aTransition metal- and oxidant-free regioselective synthesis of 3,4,5-trisubstituted pyrazoles by means of [3+2] cycloaddition reactions0 aTransition metal and oxidantfree regioselective synthesis of 345 cMAR ae2022006050 v73 a

A highly efficient regioselective synthesis of 3,4,5-trisubstituted pyrazoles via transition metal- and oxidant-free, three component [3+2] cycloaddition with thiazolidinedione chalcones, benzaldehydes and N-tosylhydrazine is described. The reaction proceeds through C-C and C-N bond formations under mild reaction conditions to produce structurally diverse polysubstituted pyrazoles in moderate to good yields.

10a310a410a5-trisubstituted pyrazoles10aCycloaddition10aMulticomponent reaction10aOxidant free10aRegioselectivity10aTransition metal free1 aAllaka, Bhargava, Sai1 aBasavoju, Srinivas1 aGamidi, Rama, Krishna uhttps://library.ncl.res.in/content/transition-metal-and-oxidant-free-regioselective-synthesis-345-trisubstituted-pyrazoles01948nas 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

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.

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-agents02006nas a2200265 4500008004100000022001400041245021100055210006900266260000800335300001200343490000700355520100000362653002501362653002201387653002101409653002201430653002001452100002501472700002601497700002601523700002001549700002001569700002301589856012801612 2023 eng d a0039-791100aUltrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies0 aUltrasound assisted green protocol for the synthesis of quinoxal cJUN a835-8540 v533 a

A series of novel quinoxaline based bisspirooxindolo-pyrrolizidines were synthesized through 1,3-dipolar cycloaddition under ultrasonication with shorter reaction time and good yields. The compounds were well characterized by various spectroscopic methods and finally single crystal X-ray diffraction method (4c, 4d). DFT energy calculations confirm the regioselectivity due to enone umpolung effect. The in vitro anti-cancer activity of the synthesized compounds (4a-s) shows that the compounds 4g and 4q exhibited good anti-cancer activity with IC50 values14.51 +/- 1.1 and 11.36 +/- 0.23 mu M against DU-145 prostate cancer cell line; and 16.78 +/- 0.95 and 14.28 +/- 0.64 mu M against Hela cervical cancer cell lines when compared to the standard anti-cancer drug doxorubicin (1.75 +/- 0.06 and 1.35 +/- 0.09 mu M). In silico molecular docking studies indicated that the synthesized compounds may serve as a potential lead for the further development of novel anti-cancer agents.

10aAnti-cancer activity10abisspirooxindoles10aDFT calculations10aHirshfeld surface10aultrasonication1 aBaddepuri, Sravanthi1 aAllaka, Bhargava, Sai1 aGamidi, Rama, Krishna1 aFaizan, Mohmmad1 aPawar, Ravinder1 aBasavoju, Srinivas uhttps://library.ncl.res.in/content/ultrasound-assisted-green-protocol-synthesis-quinoxaline-based-bisspirooxindoles-crystal00659nas a2200157 4500008004100000022001400041245013300055210006900188260000800257300001100265100002100276700002600297700002600323700002300349856012900372 2023 eng d a1551-700400aUltrasound assisted synthesis of spirooxindolo-1,2,4-oxadiazoles via [3+2] cycloaddition reaction and their anti-cancer activity0 aUltrasound assisted synthesis of spirooxindolo124oxadiazoles via cMAY aS1-S461 aKanchrana, Madhu1 aAllaka, Bhargava, Sai1 aKrishna, Gamidi, Rama1 aBasavoju, Srinivas uhttps://library.ncl.res.in/content/ultrasound-assisted-synthesis-spirooxindolo-124-oxadiazoles-32-cycloaddition-reaction-and02051nas a2200157 4500008004100000245016900041210006900210260000800279490000700287520137700294100002601671700002101697700002601718700002301744856012601767 2024 eng d00a Synthesis of quinazolinone based spirocyclopropanes via [3?+?2] cycloaddition reaction: in silico anti-tubercular molecular docking studies and ADME prediction0 aSynthesis of quinazolinone based spirocyclopropanes via 32 cyclo cSEP0 v443 a

A highly efficient cascade annulation approach is developed for the synthesis of novel quinazolinone-based spirocyclopropanes via three-component [3ā€‰+ā€‰2] cycloaddition reaction with aldehydes, tosylhydrazide and quinazolinyl chalcones. The reaction features the formation of two Cā€“C bonds and three stereogenic centers. A variety of highly functionalized spirocyclopropyl quinazolinones were obtained in good yields under mild reaction conditions. Furthermore, in silico anti-tubercular (anti-TB) molecular docking studies were performed for the generated compounds against three Mycobacterium tuberculosis proteins with PDBID: 1DF7, 1P44 and 4TZK. ADME prediction were evaluated for the drug like properties of the synthesized compounds.

1 aAllaka, Bhargava, Sai1 aKanchrana, Madhu1 aGamidi, Rama, Krishna1 aBasavoju, Srinivas uhttps://library.ncl.res.in/content/synthesis-quinazolinone-based-spirocyclopropanes-32-cycloaddition-reaction-silico-anti