Genome Wide Analysis and Comparative Docking Studies of New Diaryl Furan Derivatives Against Human Cyclooxygenase-2, Lipoxygenase, Thromboxane Synthase and Prostacyclin Synthase Enzymes Involved in Inflammatory Pathway
G Model
JMG-5899; No of Pages 17
Journal of Molecular Graphics and Modelling xxx (2009) xxx–xxx
Contents lists available at ScienceDirect
Journal of Molecular Graphics and Modelling journal homepage: www.elsevier.com/locate/JMGM
Genome wide analysis and comparative docking studies of new diaryl furan derivatives against human cyclooxygenase-2, lipoxygenase, thromboxane synthase and prostacyclin synthase enzymes involved in inflammatory pathway
P. Nataraj Sekhar a, L. Ananda Reddy a,*, Marc De Maeyer b, K. Praveen Kumar c, Y.S. Srinivasulu c, M.S.L. Sunitha a, I.S.N. Sphoorthi d, G. Jayasree d, V. Srikanth e, A. Maruthi Rao f, V.S. Kothekar g, Inder Konka h, P.V.B.S. Narayana i, P.B. Kavi Kishor a a Department of Genetics, Osmania University, Hyderabad 500 007, India Laboratory of Biomolecular Modelling, Division Biochemistry, Molecular and Structural Biology, Department of Chemistry, Katholieke University, Leuven, Belgium c Srivenkateswara University, Tirupathi 517 501, India d Srinidhi Institute of Science and Technology, Hyderabad 500 007, India e St. Peters Institute of Pharmaceutical Sciences, Warangal 506 001, India f Department of Botany, Telangana University, Nizamabad 503 002, India g Department of Botany, Dr. B.A.M. University, Aurangabad 431 004, India h G. Pullareddy College of Pharmacy, Mehadipatnam, Hyderabad, India i CARISM, SASTRA University, Thanjavur, India b A R T I C L E I N F O
A B S T R A C T
Article history: Received 20 April 2009 Received in revised form 19 August 2009 Accepted 20 August 2009 Available online xxx Keywords: COX-2 Thromboxane synthase Lipoxygenase Homology modelling Docking
In an effort to develop potent anti-inflammatory and antithrombotic drugs, a series of new 4-(2phenyltetrahydrofuran-3-yl) benzene sulfonamide analogs were designed and docked against homology models of human cyclooxygenase-2 (COX-2), lipoxygenase and thromboxane synthase enzymes built using MODELLER 7v7 software and refined by
JMG-5899; No of Pages 17
Journal of Molecular Graphics and Modelling xxx (2009) xxx–xxx
Contents lists available at ScienceDirect
Journal of Molecular Graphics and Modelling journal homepage: www.elsevier.com/locate/JMGM
Genome wide analysis and comparative docking studies of new diaryl furan derivatives against human cyclooxygenase-2, lipoxygenase, thromboxane synthase and prostacyclin synthase enzymes involved in inflammatory pathway
P. Nataraj Sekhar a, L. Ananda Reddy a,*, Marc De Maeyer b, K. Praveen Kumar c, Y.S. Srinivasulu c, M.S.L. Sunitha a, I.S.N. Sphoorthi d, G. Jayasree d, V. Srikanth e, A. Maruthi Rao f, V.S. Kothekar g, Inder Konka h, P.V.B.S. Narayana i, P.B. Kavi Kishor a a Department of Genetics, Osmania University, Hyderabad 500 007, India Laboratory of Biomolecular Modelling, Division Biochemistry, Molecular and Structural Biology, Department of Chemistry, Katholieke University, Leuven, Belgium c Srivenkateswara University, Tirupathi 517 501, India d Srinidhi Institute of Science and Technology, Hyderabad 500 007, India e St. Peters Institute of Pharmaceutical Sciences, Warangal 506 001, India f Department of Botany, Telangana University, Nizamabad 503 002, India g Department of Botany, Dr. B.A.M. University, Aurangabad 431 004, India h G. Pullareddy College of Pharmacy, Mehadipatnam, Hyderabad, India i CARISM, SASTRA University, Thanjavur, India b A R T I C L E I N F O
A B S T R A C T
Article history: Received 20 April 2009 Received in revised form 19 August 2009 Accepted 20 August 2009 Available online xxx Keywords: COX-2 Thromboxane synthase Lipoxygenase Homology modelling Docking
In an effort to develop potent anti-inflammatory and antithrombotic drugs, a series of new 4-(2phenyltetrahydrofuran-3-yl) benzene sulfonamide analogs were designed and docked against homology models of human cyclooxygenase-2 (COX-2), lipoxygenase and thromboxane synthase enzymes built using MODELLER 7v7 software and refined by