Browsing by Author "Chaudhuri, B."
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Item Metadata only Apoptosis Methods, Genes and Proteins(2009-10-15) Chaudhuri, B.Item Metadata only CA224, a non-planar analogue of fascaplysin, inhibits Cdk4 but not Cdk2 and arrests cells at G(0)/G(1) inhibiting pRB phosphorylation.(Elsevier, 2006-06-05) Chaudhuri, B.; Aubry, C.; Mahale, S.; Wilson, A. J.; Jenkins, Paul R.; Maréchal, Jean-Didier; Sutcliffe, Michael J.Item Metadata only Cell cycle arrest mediated by a pyridopyrimidine is not abrogated by over-expression of Bcl-2 and cyclin D1(2001) Soni, R.; Chaudhuri, B.Item Metadata only The design and synthesis of novel 3-[2-indol-1-yl-ethyl]-1H-indole derivatives as selective inhibitors of CDK4(Elsevier, 2005) Aubry, C.; Patel, A.; Mahale, S.; Chaudhuri, B.; Maréchal, Jean-Didier; Sutcliffe, Michael J.; Jenkins, Paul R.Item Metadata only Design, synthesis and biological activity of new CDK4-specific inhibitors, based on fascaplysin(Royal Society of Chemistry, 2006) Aubry, C.; Wilson, A. J.; Jenkins, Paul R.; Mahale, S.; Chaudhuri, B.; Maréchal, Jean-Didier; Sutcliffe, Michael J.Item Metadata only Design, synthesis and biological evaluation of new tryptamine and tetrahydro-beta-carboline-based selective inhibitors of CDK4(Elsevier, 2008) Jenkins, Paul R.; Wilson, J.; Emmerson, Daniel; García, M. D.; Smith, M. R.; Gray, S. J.; Britton, R. G.; Mahale, S.; Chaudhuri, B.Item Metadata only DNA binding properties of the marine sponge pigment fascaplysin(Elsevier, 2001) Hormann, A.; Chaudhuri, B.; Fretz, HeinzItem Metadata only Fascaplysin-inspired diindolyls as selective inhibitors of CDK4/cyclin D1(Elsevier, 2009) Aubry, C.; Wilson, A. J.; Emmerson, Daniel; Murphy, E.; Chan, Y. Y.; Dickens, M. P.; García, M. D.; Jenkins, Paul R.; Mahale, S.; Chaudhuri, B.Item Metadata only Human DNA replication initiation factors, ORC and MCM, associate with oriP of Epstein-Barr virus.(National Academy of Sciences, 2001) Chaudhuri, B.; Xu, H.; Todorov, I.; Dutta, A.; Yates, John L.Item Metadata only Identification of Potent and Selective CYP1A1 Inhibitors via Combined Ligand and Structure-Based Virtual Screening and Their in Vitro Validation in Sacchrosomes and Live Human Cells.(ACS Publications, 2017-05-10) Joshi, Prashant; McCann, Glen J. P.; Sonawane, V. R.; Vishwakarma, R. A.; Chaudhuri, B.; Bharate, S. B.Target structure-guided virtual screening (VS) is a versatile, powerful, and inexpensive alternative to experimental high-throughput screening (HTS). To discover potent CYP1A1 enzyme inhibitors for cancer chemoprevention, a commercial library of 50 000 small molecules was utilized for VS guided by both ligand and structure-based strategies. For experimental validation, 300 ligands were proposed based on combined analysis of fitness scores from ligand based e-pharmacophore screening and docking score, prime MMGB/SA binding affinity and interaction pattern analysis from structure-based VS. These 300 compounds were screened, at 10 μM concentration, for in vitro inhibition of CYP1A1-Sacchrosomes (yeast-derived microsomal enzyme) in the ethoxyresorufin-O-de-ethylase assay. Thirty-two compounds displayed >50% inhibition of CYP1A1 enzyme activity at 10 μM. 2-Phenylimidazo-[1,2-a]quinoline (5121780, 119) was found to be the most potent with 97% inhibition. It also inhibited ∼95% activity of CYP1B1 and CYP1A2, the other two CYP1 enzymes. The compound 5121780 (119) showed high selectivity toward inhibition of CYP1 enzymes with respect to CYP2 and CYP3 enzymes (i.e., there was no detectable inhibition of CYP2D6/CYP2C9/CYP2C19 and CYP3A4 at 10 μM). It was further investigated in live CYP-expressing human cell system, which confirmed that compound 5121780 (119) potently inhibited CYP1A1, CYP1A2, CYP1B1 enzymes with IC50 values of 269, 30, and 56 nM, respectively. Like in Sacchrosomes, inhibition of CYP2D6/CYP2C9/CYP2C19 and CYP3A4 enzymes, expressed within live human cells, could hardly be detected at 10 μM. The compound 119 rescued CYP1A1 overexpressing HEK293 cells from CYP1A1 mediated benzo[a]pyrene (B[a]P) toxicity and also overcame cisplatin resistance in CYP1B1 overexpressing HEK293 cells. Molecular dynamics simulations of 5121780 (119) with CYP1 enzymes was performed to understand the interaction pattern to CYP isoforms. Results indicate that VS can successfully be used to identify promising CYP1A1 inhibitors, which may have potential in the development of novel cancer chemo-preventive agents.Item Metadata only Inhibition of cancer cell growth by cyclin dependent kinase 4 inhibitors synthesized based on the structure of fascaplysin.(Elsevier, 2006) Mahale, S.; Aubry, C.; Jenkins, Paul R.; Maréchal, Jean-Didier; Sutcliffe, Michael J.; Chaudhuri, B.Item Metadata only Method for Production of Cytochrome P450 with N-Terminal Truncated P450 Reductase(2009-07-23) Chaudhuri, B.Method for Production of Cytochrome P450 with N-Terminal Truncated P450 Reductase - PatentItem Metadata only New fascaplysin-based CDK4-specific inhibitors: design, synthesis and biological activity.(Royal Society of Chemistry, 2004-06-25) Chaudhuri, B.; Aubry, C.; Jenkins, Paul R.; Mahale, S.; Maréchal, Jean-Didier; Sutcliffe, Michael J.Item Metadata only New sesquiterpene quinols from a Micronesian sponge(American Chemical Society, 2003) Mukku, V. J.; Edrada, R. A.; Schmitz FJ, F. J.; Shanks, M. K.; Chaudhuri, B.; Fabbro, DorianoItem Metadata only Protein kinases as targets for anticancer agents: from inhibitors to useful drugs.(Elsevier, 2002) Fabbro, Doriano; Ruetz, S.; Buchdunger, E.; Cowan-Jacob, S. W.; Fendrich, G.; Liebetanz, J.; Mestan, J.; O'Reilly, T.; Traxler, P.; Chaudhuri, B.; Fretz, Heinz; Zimmermann, J.; Meyer, T.; Caravatti, G.; Furet, Pascal; Manley, P. W.Item Metadata only Quinazoline derivatives as selective CYP1B1 inhibitors(Elsevier, 2017-02-16) Siddique, Mohd Usman Mohd; McCann, Glen J. P.; Sonawane, Vinay; Horley, Neill; Gatchie, Linda; Joshi, Prashant; Bharate, Sandip B.; Jayaprakash,Venkatesan; Sinha, Barij N.; Chaudhuri, B.CYP1B1 is implicated to have a role in the development of breast, ovarian, renal, skin and lung carcinomas. It has been suggested that identification of potent and specific CYP1B1 inhibitors can lead to a novel treatment of cancer. Flavonoids have a compact rigid skeleton which fit precisely within the binding cavity of CYP1B1. Systematic isosteric replacement of flavonoid 'O' atom with 'N' atom led to the prediction that a 'quinazoline' scaffold could be the basis for designing potential CYP1B1 inhibitors. A total of 20 quinazoline analogs were synthesized and screened for CYP1B1 and CYP1A1 inhibition in Sacchrosomes™. IC50 determinations of six compounds with capability of inhibiting CYP1B1 identified quinazolines 5c and 5h as the best candidates for CYP1B1 inhibition, with IC50 values in the nM range. Further selectivity studies with homologous CYPs, belonging to the CYP1, CYP2 and CYP3 family of enzymes, showed that the compounds are likely to be free from critical drug-drug interaction liability. Molecular modelling studies were performed to rationalize the observed enzymatic inhibitions. Further biological studies in live yeast and human cells, harboring CYP1A1 and CYP1B1 enzymes, have illustrated the most potent compounds' cellular permeability and capability of potently inhibiting CYP1B1 enzyme expressed within live cells.Item Metadata only Replication from oriP of Epstein-Barr virus requires human ORC and is inhibited by geminin(Elsevier, 2001) Dhar, S. K.; Yoshida, K.; Machida, Y.; Khaira, P.; Chaudhuri, B.; Wohlschlegel, J. A.; Leffak, M.; Yates, John; Dutta, A.Item Metadata only Selective in vivo and in vitro effects of a small molecule inhibitor of cyclin-dependent kinase 4.(Oxford University Press, 2001-03-21) Chaudhuri, B.; Furet, Pascal; O'Reilly, T.; Soni, Rajeev; Muller, Lionel; Stephan, Christine; Zumstein-Mecker, Sabine; Fretz, Heinz; Fabbro, DorianoItem Metadata only Structure-based design and synthesis of 2-benzylidene-benzofuran-3-ones as flavopiridol mimics.(American Chemical Society, 2002-03-26) Chaudhuri, B.; Fretz, Heinz; Muller, Lionel; Schoepfer, J.; Seeber, Egge; Meijer, Laurent; Lozach, Olivier; Vangrevelinghe, Eric; Furet, PascalItem Metadata only Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors(RSC, 2006) García, M. D.; Wilson, A. J.; Emmerson, Daniel; Jenkins, Paul R.; Mahale, S.; Chaudhuri, B.