MNR Degree and PG College

Kūkatpalli, India

MNR Degree and PG College

Kūkatpalli, India

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Dey T.,Jadavpur University | Praveena K.S.S.,MNR Degree and PG College | Pal S.,MNR Degree and PG College | Mukherjee A.K.,Jadavpur University
Journal of Molecular Structure | Year: 2017

Three oxime ether derivatives, (E)-3-methoxy-4-(prop-2-ynyloxy)-benzaldehyde-O-prop-2-ynyl-oxime (C14H13NO3) (2), benzophenone-O-prop-2-ynyl-oxime (C16H13NO) (3) and (E)-2-chloro-6-methylquinoline-3-carbaldehyde-O-prop-2-ynyl-oxime (C14H11ClN2O) (4), have been synthesized and their crystal structures have been determined. The DFT optimized molecular geometries in 2–4 agree closely with those obtained from the crystallographic study. An interplay of intermolecular C[sbnd]H⋯O, C[sbnd]H⋯N, C[sbnd]H⋯Cl and C[sbnd]H···π(arene) hydrogen bonds and π···π interactions assembles molecules into a 2D columnar architecture in 2, a 1D molecular ribbon in 3 and a 3D framework in 4. Hirshfeld surface analysis showed that the structures of 2 and 3 are mainly characterized by H⋯H, H⋯C and H⋯O contacts but some contribution of H⋯N and H⋯Cl contacts is also observed in 4. Hydrogen-bond based interactions in 2–4 have been complemented by calculating molecular electrostatic potential (MEP) surfaces. The electronic structures of molecules reveal that the estimated band gap in 3, in which both aldehyde hydrogen atoms of formaldehyde-O-prop-2-ynyl-oxime (1) have been substituted by two benzene rings, is higher than that of 2 and 4 with only one aldehyde hydrogen atom replaced. © 2017 Elsevier B.V.


Bhattacharya A.,Jadavpur University | Kankanala K.,Jawaharlal Nehru Technological University Anantapur | Kankanala K.,MNR Degree and PG College | Pal S.,MNR Degree and PG College | Mukherjee A.K.,Jadavpur University
Journal of Molecular Structure | Year: 2010

A nimesulide derivative, N-[4-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-2-phenoxyphenyl]methanesulfonamide (2), was synthesized and its crystal structure has been determined from X-ray powder diffraction data following direct-space global optimization technique and refined by the Rietveld method. The molecular geometry and electronic structure of the title compound were calculated at the DFT level using the hybrid exchange-correlation functional, BLYP. The optimized molecular geometry of 2 corresponds closely to that obtained from the X-ray structure analysis. Intermolecular N-H···O and C-H···O hydrogen bonds in 2 form one-dimensional polymeric chains of R2 2(8) rings propagating along the [1 0 0] direction. Further linking between parallel chains via C-H···π (arene) hydrogen bonds generates a two-dimensional supramolecular assembly in the (1 1 0) plane. The title compound exhibits potential anti-inflammatory activity and can induce 64% edema inhibition in rat paws. © 2010 Elsevier B.V. All rights reserved.


Bhattacharya A.,Jadavpur University | Ghosh S.,Jadavpur University | Kankanala K.,Jawaharlal Nehru Technological University Anantapur | Kankanala K.,MNR Degree and PG College | And 4 more authors.
Chemical Physics Letters | Year: 2010

Crystal structures of two nimesulide derivatives, C13H 14O3N2S (2) and C21H 16O5N2S (3), have been determined from X-ray powder diffraction data and their electronic structures were calculated at the DFT level. The optimized molecular geometries of 2 and 3 correspond closely to that obtained from the crystallographic analysis. Intermolecular hydrogen bonds and π..π stacking interactions form supramolecular assembly in both compounds. The HOMO-LUMO energy gap (>2.2 eV) indicates a high kinetic stability of both compounds. Although the compound 2 does not exhibit any anti-inflammatory activity, 3 can induce 34% edema inhibition in rat paws. © 2010 Elsevier B.V. All rights reserved.


Pal S.,MNR Degree and PG College | Durgadas S.,Sudan University of Science and Technology | Nallapati S.B.,Sudan University of Science and Technology | Mukkanti K.,Sudan University of Science and Technology | And 4 more authors.
Bioorganic and Medicinal Chemistry Letters | Year: 2011

A number of novel 1-(3-arylprop-2-ynyl) substituted 1,2-dihydroquinoline derivatives related to nimesulide and their 2-oxo analogues have been designed as potential inhibitors of PDE4. All these compounds were synthesized by using Sonogashira coupling as a key step. In vitro PDE4B inhibitory properties and molecular modeling studies of some of the compounds synthesized are presented. © 2011 Elsevier Ltd. All rights reserved.


Kumar K.S.,Dr Reddys Laboratories Ltd | Kumar K.S.,Jamal Mohamed College | Kumar P.M.,Dr Reddys Laboratories Ltd | Reddy M.A.,Dr Reddys Laboratories Ltd | And 9 more authors.
Chemical Communications | Year: 2011

A one-pot Yb(iii)-mediated cascade reaction has been developed leading to small molecules based on a novel structural motif, i.e. quinazolin-4-one moiety fused with an isoquinoline ring, for potential inhibition of TNF-α. © 2011 The Royal Society of Chemistry.


Kankanala K.,University Hyderabad | Kankanala K.,MNR Degree and PG College | Reddy V.R.,Dr. Reddys Laboratories Ltd. Integrated Product Development | Mukkanti K.,University Hyderabad | Pal S.,MNR Degree and PG College
Journal of the Brazilian Chemical Society | Year: 2010

The frst synthesis of nimesulide-based novel cyclic imides has been accomplished via the reaction of an amine prepared from nimesulide with appropriate anhydrides in the presence of sodium acetate. Using this process a variety of N-substituted cyclic imides was prepared in good yields in glacial acetic acid. Some of the compounds synthesized showed anti-infammatory activities when tested in vivo. © 2010 Sociedade Brasileira de Química.


Durgadas S.,University of Hyderabad | Durgadas S.,MSN Pharmachem Pvt. Ltd | Chatare V.K.,MNR Degree and PG College | Mukkanti K.,University of Hyderabad | Pal S.,MNR Degree and PG College
Applied Organometallic Chemistry | Year: 2010

Synthesis of a series of compounds structurally related to the anti-inflammatory agent nimesulide has been accomplished via Pd-catalyzed C-C bond forming reactions. Thus 4-iodo derivative, prepared from nimesulide, participated in Sonogashira (copper-free), Heck and Suzuki coupling reactions to afford the corresponding alkynyl alkenyl and aryl substituted products. Some of the compounds synthesized were tested for anti-inflammatory activities in vivo. Copyright © 2010 John Wiley & Sons, Ltd.


Pal S.,MNR Degree and PG College | Chatare V.,Dr. Reddys Laboratories Ltd | Pal M.,University of Hyderabad
Current Organic Chemistry | Year: 2011

The prevalence of isocoumarins in numerous natural products that exhibit a wide range of biological activities has generated a continued and enormous interest among synthetic and medicinal chemists. The isocoumarin framework represents one of the privileged structures for the development of natural product-inspired compounds of potential biological interest. Considerable efforts have been devoted towards the synthesis of isocoumarins via either traditional or transition-metal catalyzed reactions. Among the metal catalyzed reactions, the use of Cu, Pd, Ag, Ru, Rh or Ir salts/complexes for the construction of isocoumarin ring are noteworthy. Among the other methodologies, halo-lactonization emerged as a practical process. Apart from preparing a variety of isocoumarins and thienopyranones, synthesis of naturally occurring and bioactive isocoumarins have been carried out by using cutting edge technologies. This review article will briefly cover all these aspects along with the synthetic utility of isocoumarins, highlighting recent developments. © 2011 Bentham Science Publishers Ltd.


Mareddy J.,MNR Degree and PG College | Mareddy J.,Jawaharlal Nehru Technological University | Nallapati S.B.,Jawaharlal Nehru Technological University | Anireddy J.,Jawaharlal Nehru Technological University | And 4 more authors.
Bioorganic and Medicinal Chemistry Letters | Year: 2013

A new class of 1,2,3-triazol derivatives derived from nimesulide was designed as potential inhibitors of PDE4B. Synthesis of these compounds was carried out via a multi-step sequence consisting of copper-catalyzed azide-alkyne cycloaddition (CuAAC) as a key step in aqueous media. The required azide was prepared via the reaction of aryl amine (obtained from nimesulide) with α-chloroacetyl chloride followed by displacing the α-chloro group by an azide. Some of the synthesized compounds showed encouraging PDE4B inhibitory properties in vitro that is >50% inhibition at 30 μM that were supported by the docking studies of these compounds at the active site of PDE4B enzyme (dock scores ∼ -28.6 for a representative compound). Two of these PDE4 inhibitors showed promising cytotoxic properties against HCT-15 human colon cancer cells in vitro with IC50 ∼ 21-22 μg/mL. © 2013 Elsevier Ltd. All rights reserved.


Durgadas S.,Jawaharlal Nehru Technological University Anantapur | Durgadas S.,MSN Pharmachem Pvt. Ltd | Chatare V.K.,MNR Degree and PG College | Mukkanti K.,Jawaharlal Nehru Technological University Anantapur | Pal S.,MNR Degree and PG College
Letters in Organic Chemistry | Year: 2010

Ceric ammonium nitrate (CAN) catalyzed the one-pot synthesis of 2,2,4-trirnethyl-1,2-dihydroquinoline derivatives from substituted anilines and acetone via a modified Skraup reaction. The methodology was used to synthesize a novel dihydroquinoline-based compound derived from an anti-inflammatory agent nimesulide. © 2010 Bentham Science Publishers Ltd.

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