Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action
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Kunal Patel | Ritu Jain | Salma Jamal | Sukriti Goyal | Abhinav Grover | Chetna Tyagi | Navneeta Bharadvaja | Divya Wahi | S. Jamal | N. Bharadvaja | C. Tyagi | A. Grover | S. Goyal | R. Jain | Divya Wahi | K. Patel | Sukriti Goyal | S. Jamal
[1] Zhongfa Liu,et al. Triphala and Its Active Constituent Chebulinic Acid Are Natural Inhibitors of Vascular Endothelial Growth Factor-A Mediated Angiogenesis , 2012, PloS one.
[2] M. Hui,et al. Multiplex PCR Amplimer Conformation Analysis for Rapid Detection of gyrA Mutations in Fluoroquinolone-Resistant Mycobacterium tuberculosis Clinical Isolates , 2004, Antimicrobial Agents and Chemotherapy.
[3] M. Baliga. Triphala, Ayurvedic formulation for treating and preventing cancer: a review. , 2010, Journal of alternative and complementary medicine.
[4] T. Darden,et al. A smooth particle mesh Ewald method , 1995 .
[5] Abhinav Grover,et al. Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors , 2014, BMC Genomics.
[6] V. Jarlier,et al. Novel Gyrase Mutations in Quinolone-Resistant and -Hypersusceptible Clinical Isolates of Mycobacterium tuberculosis: Functional Analysis of Mutant Enzymes , 2006, Antimicrobial Agents and Chemotherapy.
[7] Brian K. Shoichet,et al. ZINC - A Free Database of Commercially Available Compounds for Virtual Screening , 2005, J. Chem. Inf. Model..
[8] J. Farrar,et al. Beijing Genotype of Mycobacterium tuberculosis Is Significantly Associated with High-Level Fluoroquinolone Resistance in Vietnam , 2008, Antimicrobial Agents and Chemotherapy.
[9] Jack Snoeyink,et al. Nucleic Acids Research Advance Access published April 22, 2007 MolProbity: all-atom contacts and structure validation for proteins and nucleic acids , 2007 .
[10] F. Brossier,et al. Treatment failure in a case of extensively drug-resistant tuberculosis associated with selection of a GyrB mutant causing fluoroquinolone resistance , 2007, European Journal of Clinical Microbiology & Infectious Diseases.
[11] J M Thornton,et al. LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. , 1995, Protein engineering.
[12] Jesús S. Dehesa,et al. Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride , 2014, Journal of Molecular Modeling.
[13] K. Mdluli,et al. Mycobacterium tuberculosis DNA gyrase as a target for drug discovery. , 2007, Infectious disorders drug targets.
[14] Alexandra Aubry,et al. First functional characterization of a singly expressed bacterial type II topoisomerase: the enzyme from Mycobacterium tuberculosis. , 2006, Biochemical and biophysical research communications.
[15] J. Dhanjal,et al. Novel Natural Structure Corrector of ApoE4 for Checking Alzheimer's Disease: Benefits from High Throughput Screening and Molecular Dynamics Simulations , 2013, BioMed research international.
[16] D. Hooper,et al. Fluoroquinolone antimicrobial agents. , 1991, Clinical microbiology reviews.
[17] Hongma Sun,et al. Pharmacophore-based virtual screening. , 2008, Current medicinal chemistry.
[18] I. Laponogov,et al. Structural insight into the quinolone–DNA cleavage complex of type IIA topoisomerases , 2009, Nature Structural &Molecular Biology.
[19] S. Srivastava,et al. Triphala inhibits both in vitro and in vivo xenograft growth of pancreatic tumor cells by inducing apoptosis , 2008, BMC Cancer.
[20] Sukriti Goyal,et al. Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis , 2014, Journal of Molecular Modeling.
[21] J. Berger,et al. DNA topoisomerases: harnessing and constraining energy to govern chromosome topology , 2008, Quarterly Reviews of Biophysics.
[22] Hege S. Beard,et al. Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. , 2004, Journal of medicinal chemistry.
[23] Matthew P. Repasky,et al. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. , 2006, Journal of medicinal chemistry.
[24] Gaetano T Montelione,et al. Evaluating protein structures determined by structural genomics consortia , 2006, Proteins.
[25] B. Barrell,et al. Deciphering the biology of Mycobacterium tuberculosis from the complete genome sequence , 1998, Nature.
[26] R. Colwell,et al. Antibacterial activity of black myrobalan (Terminalia chebula Retz) against Helicobacter pylori. , 2001, International journal of antimicrobial agents.
[27] R. Friesner,et al. Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides† , 2001 .
[28] G. Deep,et al. Chemopreventive potential of Triphala (a composite Indian drug) on benzo(a)pyrene induced forestomach tumorigenesis in murine tumor model system. , 2005, Journal of experimental & clinical cancer research : CR.
[29] H. Hiasa,et al. DNA gyrase and topoisomerase IV: biochemical activities, physiological roles during chromosome replication, and drug sensitivities. , 1998, Biochimica et biophysica acta.
[30] J. Farrar,et al. Fluoroquinolone resistance detection in Mycobacterium tuberculosis with locked nucleic acid probe real-time PCR. , 2008, The international journal of tuberculosis and lung disease : the official journal of the International Union against Tuberculosis and Lung Disease.
[31] Woody Sherman,et al. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments , 2013, Journal of Computer-Aided Molecular Design.
[32] J. Thornton,et al. PROCHECK: a program to check the stereochemical quality of protein structures , 1993 .
[33] Richard M. Jackson,et al. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites , 2005, Bioinform..
[34] W. L. Jorgensen,et al. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids , 1996 .
[35] J. Denholm. The most recent report from the World Health Organization found that, worldwide, approximately 5% of new tuberculosis cases are caused by multidrug-resistant strains (MDR TB). , 2010, Journal of travel medicine.
[36] M. Delarue,et al. Structural Insights into the Quinolone Resistance Mechanism of Mycobacterium tuberculosis DNA Gyrase , 2010, PloS one.
[37] Ying Zhang,et al. Comparison of gyrA gene mutations between laboratory-selected ofloxacin-resistant Mycobacterium tuberculosis strains and clinical isolates. , 2008, International journal of antimicrobial agents.
[38] Matthew P. Repasky,et al. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. , 2004, Journal of medicinal chemistry.
[39] J. Champoux. DNA topoisomerases: structure, function, and mechanism. , 2001, Annual review of biochemistry.
[40] I. Sugawara,et al. Emergence of Ofloxacin Resistance in Mycobacterium tuberculosis Clinical Isolates from China as Determined by gyrA Mutation Analysis Using Denaturing High-Pressure Liquid Chromatography and DNA Sequencing , 2006, Journal of Clinical Microbiology.
[41] G. Alangaden,et al. Characterization of fluoroquinolone-resistant mutant strains of Mycobacterium tuberculosis selected in the laboratory and isolated from patients , 1995, Antimicrobial agents and chemotherapy.
[42] Heena Dhiman,et al. Resisting resistant Mycobacterium tuberculosis naturally: mechanistic insights into the inhibition of the parasite's sole signal peptidase Leader peptidase B. , 2013, Biochemical and biophysical research communications.
[43] P. Lahorkar,et al. Development of a RP-HPLC Method for Analysis of Triphala Curna and its Applicability to Test Variations in Triphala Curna Preparations , 2009, Indian journal of pharmaceutical sciences.
[44] J. Musser,et al. Fluoroquinolone resistance associated with specific gyrase mutations in clinical isolates of multidrug-resistant Mycobacterium tuberculosis. , 1996, The Journal of infectious diseases.
[45] D. Singh,et al. High-performance liquid chromatography as a tool for the chemical standardisation of Triphala--an Ayurvedic formulation. , 2008, Phytochemical analysis : PCA.