Search Results - "Nettles, James H"
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Substrates and Inhibitors of SAMHD1
Published in PloS one (03-01-2017)“…SAMHD1 hydrolyzes 2'-deoxynucleoside-5'-triphosphates (dNTPs) into 2'-deoxynucleosides and inorganic triphosphate products. In this paper, we evaluated the…”
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The Binding Conformation of Taxol in β-Tubulin: A Model Based on Electron Crystallographic Density
Published in Proceedings of the National Academy of Sciences - PNAS (24-04-2001)“…The chemotherapeutic drug Taxol is known to interact within a specific site on β-tubulin. Although the general location of the site has been defined by…”
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Paclitaxel-resistant cells have a mutation in the paclitaxel-binding region of β-tubulin (Asp26Glu) and less stable microtubules
Published in Molecular cancer therapeutics (01-02-2006)“…Resistance to paclitaxel-based therapy is frequently encountered in the clinic. The mechanisms of intrinsic or acquired paclitaxel resistance are not well…”
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Drugs that target dynamic microtubules: A new molecular perspective
Published in Medicinal research reviews (01-05-2011)“…Microtubules have long been considered an ideal target for anticancer drugs because of the essential role they play in mitosis, forming the dynamic spindle…”
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Polyoxometalate HIV-1 Protease Inhibitors. A New Mode of Protease Inhibition
Published in Journal of the American Chemical Society (07-02-2001)“…Nb-containing polyoxometalates (POMs) of the Wells−Dawson class inhibit HIV-1 protease (HIV-1P) by a new mode based on kinetics, binding, and molecular…”
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Farnesyl transferase inhibitors impair chromosomal maintenance in cell lines and human tumors by compromising CENP-E and CENP-F function
Published in Molecular cancer therapeutics (01-04-2007)“…Farnesyl transferase inhibitors (FTI) exhibit anticancer activity as a single agent in preclinical studies and show promise in combination with other…”
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Variation of human immunodeficiency virus type-1 reverse transcriptase within the simian immunodeficiency virus genome of RT-SHIV
Published in PloS one (31-01-2014)“…RT-SHIV is a chimera of simian immunodeficiency virus (SIV) containing the reverse transcriptase (RT)-encoding region of human immunodeficiency virus type 1…”
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Rational design of the microtubule-targeting anti-breast cancer drug EM015
Published in Cancer research (Chicago, Ill.) (01-04-2006)“…We studied in silico docking of noscapine onto tubulin, combined with calculations of surface charge, pi-pi, van der Waals, and hydrogen bonding interactions,…”
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Selection and Characterization of HIV-1 with a Novel S68 Deletion in Reverse Transcriptase
Published in Antimicrobial Agents and Chemotherapy (01-05-2011)“…Classifications Services AAC Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
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Asymmetric Binding to NS5A by Daclatasvir (BMS-790052) and Analogs Suggests Two Novel Modes of HCV Inhibition
Published in Journal of medicinal chemistry (11-12-2014)“…Symmetric, dimeric daclatasvir (BMS-790052) is the clinical lead for a class of picomolar inhibitors of HCV replication. While specific, resistance-bearing…”
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The Binding Mode of Epothilone A on α,β-Tubulin by Electron Crystallography
Published in Science (American Association for the Advancement of Science) (06-08-2004)“…The structure of epothilone A, bound to α,β-tubulin in zinc-stabilized sheets, was determined by a combination of electron crystallography at 2.89 angstrom…”
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Bridging Chemical and Biological Space: “Target Fishing” Using 2D and 3D Molecular Descriptors
Published in Journal of medicinal chemistry (16-11-2006)“…Bridging chemical and biological space is the key to drug discovery and development. Typically, cheminformatics methods operate under the assumption that…”
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“Bayes Affinity Fingerprints” Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?
Published in Journal of chemical information and modeling (01-11-2006)“…Conventional similarity searching of molecules compares single (or multiple) active query structures to each other in a relative framework, by means of a…”
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Discovery, characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors
Published in Bioorganic & medicinal chemistry letters (15-08-2016)“…[Display omitted] A library of 585 compounds built off a 7-azaindole core was evaluated for anti-HIV-1 activity, and ten hits emerged with submicromolar…”
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Ligand similarity guided receptor selection enhances docking accuracy and recall for non-nucleoside HIV reverse transcriptase inhibitors
Published in Journal of molecular modeling (01-11-2015)“…Non-nucleoside reverse transcriptase inhibitors (NNRTI) are allosteric inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT), a…”
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Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers
Published in Journal of chemical information and modeling (01-01-2006)“…High-throughput screening (HTS) plays a pivotal role in lead discovery for the pharmaceutical industry. In tandem, cheminformatics approaches are employed to…”
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Design, synthesis and evaluation of novel anti-HCV molecules that deliver intracellularly three highly potent NS5A inhibitors
Published in Bioorganic & medicinal chemistry letters (01-09-2015)“…[Display omitted] The design and synthesis of new non-symmetrical NS5A inhibitors with sulfur containing amino acids is reported along with their ability to…”
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Synthesis and evaluation of non-dimeric HCV NS5A inhibitors
Published in Bioorganic & medicinal chemistry letters (01-04-2013)“…Based on the symmetrical bidentate structure of the NS5A inhibitor BMS-790052, a series of new monodentate molecules were designed. The synthesis of 36 new…”
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Microtubule-interacting drugs for cancer treatment
Published in Trends in pharmacological sciences (Regular ed.) (01-07-2003)“…Microtubule-interacting drugs are important agents in cancer chemotherapy. Some of these drugs alter microtubule dynamics and engage the cell cycle…”
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Approaches to hepatitis C treatment and cure using NS5A inhibitors
Published in Infection and drug resistance (01-01-2014)“…Recent progress in the understanding of hepatitis C virus (HCV) biology and the availability of in vitro models to study its replication have facilitated the…”
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