Research Topics
| Apurba K BhattacharjeeSummaryAffiliation: Walter Reed Army Medical Center Country: USA Publications
| Collaborators
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Detail Information
Publications
A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different classes of novel Pfmrk specific inhibitorsApurba K Bhattacharjee
Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Silver Spring, Maryland 20910 7500, USA
J Med Chem 47:5418-26. 2004..The predicted inhibitory activities of some of these Pfmrk inhibitors from the molecular model agree exceptionally well with the experimental inhibitory values from the in vitro CDK assay...- Protection of mice against brucellosis by intranasal immunization with Brucella melitensis lipopolysaccharide as a noncovalent complex with Neisseria meningitidis group B outer membrane proteinApurba K Bhattacharjee
Department of Bacterial Diseases, Walter Reed Army Institute of Research, Washington, D C 20307 5100, USA
Infect Immun 70:3324-9. 2002..melitensis LPS-GBOMP subunit vaccine significantly protects mice against intranasal challenge with virulent B. melitensis. Vaccination reduces bacterial dissemination to spleen and liver but has no effect on the course of lung infection... - Comparison of protective efficacy of subcutaneous versus intranasal immunization of mice with a Brucella melitensis lipopolysaccharide subunit vaccineApurba K Bhattacharjee
Department of Bacterial Diseases, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, MD 20910 7500, USA
Infect Immun 74:5820-5. 2006.... - In silico pharmacophore model for tabun-inhibited acetylcholinesterase reactivators: a study of their stereoelectronic propertiesApurba K Bhattacharjee
Department of Regulated Laboratories, Division of Regulated Activities, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, Maryland 20910, USA
Chem Res Toxicol 23:26-36. 2010..The model may be useful for virtual screening of compound libraries to discover and/or custom synthesize more efficacious and less toxic reactivators that may be useful for GA intoxication... - Identification of smooth and rough forms in cultures of Brucella melitensis strains by flow cytometryCarmen M Fernandez-Prada
Department of Bacterial Diseases, Walter Reed Army Institute of Research WRAIR, Silver Spring, MD 20910, USA
J Immunol Methods 315:162-70. 2006..Third, we evaluated the purity of cultures of B. melitensis strains grown in a fermenter. These flow cytometric methods may be useful for quality control of process development for large-scale vaccine production... - Oral vaccination with Brucella melitensis WR201 protects mice against intranasal challenge with virulent Brucella melitensis 16MMina J Izadjoo
Department of Infectious and Parasitic Diseases, Armed Forces Institute of Pathology, Washington, DC 20306 6000, USA
Infect Immun 72:4031-9. 2004..These results establish the usefulness of oral vaccination against respiratory challenge with virulent Brucella and suggest that WR201 should be further investigated as a vaccine to prevent human brucellosis... - The antimalarial potential of 4-quinolinecarbinolamines may be limited due to neurotoxicity and cross-resistance in mefloquine-resistant Plasmodium falciparum strainsGeoffrey S Dow
Parasitology Department, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, MD 20910, USA
Antimicrob Agents Chemother 48:2624-32. 2004..Extension of this in silico screening approach may aid in the identification of less-neurotoxic quinoline analogs... - Analysis of stereoelectronic properties, mechanism of action and pharmacophore of synthetic indolo[2,1-b]quinazoline-6,12-dione derivatives in relation to antileishmanial activity using quantum chemical, cyclic voltammetry and 3-D-QSAR CATALYST proceduresApurba K Bhattacharjee
Division of Experimental Therapeutics, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, 20910, Silver Spring, MD, USA
Bioorg Med Chem 10:1979-89. 2002..The carbonyl group of the five- and six-membered rings in the indolo[2,1-b]quinazoline-6,12-dione skeleton and the electron transfer ability to the carbonyl atom appear to be crucial for activity... - The anthrax protective antigen (PA63) bound conformation of a peptide inhibitor of the binding of lethal factor to PA63: as determined by trNOESY NMR and molecular modelingRickey P Hicks
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, Maryland 20910, USA
J Med Chem 47:5347-55. 2004..On binding to PA63, P1 adopts a helical conformation involving residues 3-9 while the C- and N-terminal residues exhibit dynamic fraying... - The medicinal chemistry of botulinum, ricin and anthrax toxinsRickey P Hicks
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Washington, DC 20307 5100, USA
Curr Med Chem 12:667-90. 2005.... - Structure-activity relationship study of antimalarial indolo [2,1-b]quinazoline-6,12-diones (tryptanthrins). Three dimensional pharmacophore modeling and identification of new antimalarial candidatesApurba K Bhattacharjee
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Silver Spring, MD 20910 7500, U S A
Eur J Med Chem 39:59-67. 2004..The phamacophore allowed searches for new antimalarial candidates from multiconformer 3D databases and enabled custom designed synthesis of new potent analogues... - Comparison of the conformation and electrostatic surface properties of magainin peptides bound to sodium dodecyl sulfate and dodecylphosphocholine micellesRickey P Hicks
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Washington, DC 20307 5100, USA
Biopolymers 68:459-70. 2003..Electrostatic interactions between the polar head groups of the micelle and the cationic side chains of the peptides define the positions along the peptide backbone where the helical structures begin and end... - Efficacy of proton pump inhibitor drugs against Plasmodium falciparum in vitro and their probable pharmacophoresMichael A Riel
Parasitology Department, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, MD 20910-7500, USA
Antimicrob Agents Chemother 46:2627-32. 2002..AM1 quantum chemical calculations identified the electrostatic potential surface surrounding the sulfoxide atom as crucial for potent activity... - A 3D QSAR pharmacophore model and quantum chemical structure--activity analysis of chloroquine(CQ)-resistance reversalApurba K Bhattacharjee
Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Silver Spring, Maryland 20910 7500, USA
J Chem Inf Comput Sci 42:1212-20. 2002..Significantly, nine out of 11 of a group of structurally diverse CQ-resistance reversal agents mapped very well on the 3D QSAR pharmacophore model... - Nuclear magnetic resonance and molecular modeling analysis of the interaction of the antimalarial drugs artelinic acid and artesunic acid with beta-cyclodextrinMark G Hartell
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, Maryland 20910-7500, USA
J Pharm Sci 93:2076-89. 2004..NMR results indicate artesunic acid forms a similar complex with beta-cyclodextrin in a ratio of 1:1; again however, the presence of 1:1, 2:2, and 3:1 complexes in solution cannot be ruled out... - Oxindole-based compounds are selective inhibitors of Plasmodium falciparum cyclin dependent protein kinasesCassandra L Woodard
Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Silver Spring, Maryland 20910, USA
J Med Chem 46:3877-82. 2003..Amino acid comparison of the active sites of Pfmrk and PfPK5 identified unique amino acid differences that may explain this selectivity and be exploited for further drug development efforts... - Analysis of molecular stereoelectronic similarity between N,N-diethyl-m-toluamide (DEET) analogs and insect juvenile hormone to develop a model pharmacophore for insect repellent activityApurba K Bhattacharjee
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Silver Spring, MD 20910, USA
J Am Mosq Control Assoc 21:23-9. 2005.... - 3D-QSAR studies of 2,2-diphenylpropionates to aid discovery of novel potent muscarinic antagonistsApurba K Bhattacharjee
Department of Regulated Laboratories, Division of Regulated Activities, Walter Reed Army Institute of Research, Silver Spring, MD 20910, USA
Bioorg Med Chem 17:3999-4012. 2009..These results demonstrate that this QSAR approach not only provides a basis for understanding the molecular mechanism of action but a pharmacophore to aid in the discovery and design of novel potent muscarinic antagonists... - Novel semi-automated methodology for developing highly predictive QSAR models: application for development of QSAR models for insect repellent amidesJayendra B Bhonsle
Department of Medicinal Chemistry, Division of Experimental Therapeutics, Walter Reed Army Institute of Research, 503 Robert Grant Avenue, Silver Spring, MD 20910, USA
J Mol Model 13:179-208. 2007..The poses/shapes of the mined bioactive conformers provide valuable insight into the mechanism of action of the insect repellents. All of the repetitive tasks were automated using Tcl-based Cerius2 scripts... - A high efficiency cloning and expression system for proteomic analysisXuan Z Ding
Department of Bacterial Diseases, Division of Communicable Diseases and Immunology, Walter Reed Army Institute of Reseach, Silver Spring, MD 20910 7500, USA
Proteomics 6:4038-46. 2006..This method will allow selection of new reagents for diagnosis of brucellosis and development of vaccine against Brucella, an important zoonotic disease and biothreat agent... - Inhibition of cholinesterases with cationic phosphonyl oximes highlights distinctive properties of the charged pyridine groups of quaternary oxime reactivatorsYacov Ashani
Division of Biochemistry, Walter Reed Army Institute of Research, 503 Robert Grant Road, Silver Spring, MD 20910-7500, USA
Biochem Pharmacol 66:191-202. 2003..The shape of plots of logk(i) vs. pK(a) of the leaving groups for AlkMeP-PAMs and DEP-PAMs, could be used as a diagnostic tool to highlight and rationalize the unique properties of the cationic moiety of pyridine oxime reactivators... - Active immunization with a detoxified endotoxin vaccine protects against lethal polymicrobial sepsis: its use with CpG adjuvant and potential mechanismsSteven M Opal
Infectious Disease Division, Brown Medical School, Providence, RI 02860, USA
J Infect Dis 192:2074-80. 2005.... - Differential effects of two different routes of immunization on protection against gram-negative sepsis by a detoxified Escherichia coli J5 lipopolysaccharide group B meningococcal outer membrane protein complex vaccine in a burned mouse modelAlice N Neely
Shriners Hospitals for Children, 3229 Burnet Avenue, Cincinnati, OH 45229, USA
J Burn Care Rehabil 23:333-40. 2002..Hence, this vaccine provided route-specific protection of burned mice against gram-negative sepsis; its mechanism of action was not solely dependent upon increased immunoglobulin titers or phagocytosis... - Carbon isosteres of the 4-aminopyridine substructure of chloroquine: effects on pK(a), hematin binding, inhibition of hemozoin formation, and parasite growthSrinivasa R Cheruku
College of Pharmacy, University of Nebraska Medical Center, 986025 Nebraska Medical Center, Omaha, Nebraska 68198-6025, USA
J Med Chem 46:3166-9. 2003..falciparum in vitro. Evidently, the CQ-hematin interaction is largely a function of its pyridine substructure, but inhibition of hemozoin formation and parasite growth depends on its 4-aminopyridine substructure... - Phase I study of detoxified Escherichia coli J5 lipopolysaccharide (J5dLPS)/group B meningococcal outer membrane protein (OMP) complex vaccine in human subjectsAlan S Cross
Department of Medicine, Center for Vaccine Development, University of Maryland School of Medicine, 685 W Baltimore Street, HSF 480, Baltimore, MD 21201, USA
Vaccine 21:4576-87. 2003..We conclude that this J5dLPS/OMP vaccine was safe and well-tolerated with transient, local pain at the injection site. Vaccine formulations with different adjuvants are currently under investigation... - In vitro and in vivo efficacy and in vitro metabolism of 1-phenyl-3-aryl-2-propen-1-ones against Plasmodium falciparumClare E Gutteridge
Department of Chemistry, United States Naval Academy, Annapolis, MD 21402, USA
Bioorg Med Chem Lett 16:5682-6. 2006..Significant compound degradation occurred upon their exposure to a liver microsome preparation, suggesting metabolic instability may be responsible for the lack of activity in vivo... - Recruitment of murine neutrophils in vivo through endogenous sialidase activityAlan S Cross
Department of Medicine, Veterans Affairs Medical Center, Baltimore, Maryland 21201, USA
J Biol Chem 278:4112-20. 2003..Inhibition of mobilized endogenous sialidase may provide a novel strategy for limiting the inflammatory response...