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Karunakar P.,PES Institute of Technology | Krishnamurthy V.,PES Institute of Technology | Girija C.R.,SSMRV College | Krishna V.,Kuvempu University | And 2 more authors.
Acta Crystallographica Section E: Structure Reports Online | Year: 2013

In the title compound, C14H14BrNO5, the ester group is disordered [occupancy ratio 0.52 (2):0.48 (2)]. The major component is nearly coplanar with the benzofuran plane, subtending a dihedral angle of 7.84 (2)°, while the amide group is twisted out of the benzofuran plane making a dihedral angle of 39.69 (2)°. An intramolecular N - H⋯O hydrogen bond occurs. In the crystal, pairs of weak C - H⋯O hydrogen bonds link the molecules into inversion dimers, which are further linked via strong N - H⋯O hydrogen bonds, generating a zigzag chain extending along [100]. © 2013 Karunakar et al.


Bhai D.R.,Bharathiar University | Girija C.R.,Government Science College | Suresh S.,SSMRV College | Reddy R.,Government Science College
Acta Crystallographica Section E: Crystallographic Communications | Year: 2015

In the title compound, C18H14N2O3, the dihedral angle between the naphthalene ring system and the benzene ring is 59.99(13)°. A short intramolecular C - H⋯N contact closes an S(6) ring. The nitro group is disordered over two orientations in a statistical ratio. In the crystal, weak C - H⋯O hydrogen bonds and very weak π-π stacking interactions [centroid-centroid separation = 3.9168(17)Å] are observed.


Girija C.R.,SSMRV College | Karunakar P.,SSMRV College | Poojari C.S.,SSMRV College | Begum N.S.,Bangalore University | Syed A.A.,University of Mysore
Journal of Proteomics and Bioinformatics | Year: 2010

Curcumin derivatives which are very potent antioxidant, free radical scavenger and known inhibitor of dioxygenases have been extensively studied to explore their potential utilization in chemoprevention. The main objective of the present work is to perform a docking analysis of curcumin derivatives: Tetrahydrocurcumin (THC), Bisdemethoxy curcumin (BDC). Docking studies of these were performed using GOLD and AutoDock into a few well validated targets of anticancer therapy (COX-2, PhenolsulphoTransferases, Matrix metalloproteinases (MMPs), P450 and TNF-alpha). A good correlation was observed in binding affinity of THC and BDC against the targets indicating these derivatives are potent procarcinogen activating enzyme inhibitors. © 2010 Girija CR, et al.


Yamuna A.J.,Kuvempu University | Karunakar P.,PES Institute of Technology | Girija C.R.,SSMRV College | Vaidya V.P.,Kuvempu University | Krishnamurthy V.,PES Institute of Technology
Acta Crystallographica Section E: Structure Reports Online | Year: 2013

The title compound, C11H10BrNO3, is close to planar with the benzofuran unit and the ester group subtending a dihedral angle of 5.25 (2)°. The molecular structure features an intramolecular N - H⋯O interaction. In the crystal, N - H⋯O hydrogen bonds involving carboxyl O-atom acceptors generate a chain extending along [201].

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