4.5 Article

Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors

Related references

Note: Only part of the references are listed.
Article Infectious Diseases

Update on drug development targeting parasite cysteine proteases

James H. McKerrow

PLOS NEGLECTED TROPICAL DISEASES (2018)

Review Infectious Diseases

Cysteine proteases as digestive enzymes in parasitic helminths

Conor R. Caffrey et al.

PLOS NEGLECTED TROPICAL DISEASES (2018)

Article Pharmacology & Pharmacy

Ortho-nitrobenzyl derivatives as potential anti-schistosomal agents

Marcela Silva Lopes et al.

BRAZILIAN JOURNAL OF PHARMACEUTICAL SCIENCES (2018)

Article Chemistry, Physical

Accurate DFT-D3 Calculations in a Small Basis Set

Jiri Hostas et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)

Article Chemistry, Multidisciplinary

Cuby: An Integrative Framework for Computational Chemistry

Jan Rezac

JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)

Article Chemistry, Medicinal

Malonate-based inhibitors of mammalian serine racemase: Kinetic characterization and structure-based computational study

Barbora Vorlova et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2015)

Article Biochemistry & Molecular Biology

PLIP: fully automated protein-ligand interaction profiler

Sebastian Salentin et al.

NUCLEIC ACIDS RESEARCH (2015)

Article Medicine, General & Internal

Human schistosomiasis

Daniel G. Colley et al.

LANCET (2014)

Review Chemistry, Multidisciplinary

Schistosomiasis Chemotherapy

Sophie A. -L. Thetiot-Laurent et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Review Biochemistry & Molecular Biology

Cysteine cathepsins: From structure, function and regulation to new frontiers

Vito Turk et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2012)

Review Chemistry, Medicinal

Falcipain Inhibition as a Promising Antimalarial Target

Maria Marco et al.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2012)

Article Chemistry, Physical

Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods

Jan Rezac et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

Article Multidisciplinary Sciences

Linking Crystallographic Model and Data Quality

P. Andrew Karplus et al.

SCIENCE (2012)

Article Infectious Diseases

Cure of Hookworm Infection with a Cysteine Protease Inhibitor

Jon J. Vermeire et al.

PLOS NEGLECTED TROPICAL DISEASES (2012)

Article Biochemical Research Methods

Overview of the CCP4 suite and current developments

Martyn D. Winn et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2011)

Review Infectious Diseases

Schistosomiasis: from drug deployment to drug development

Conor R. Caffrey et al.

CURRENT OPINION IN INFECTIOUS DISEASES (2011)

Article Biochemistry & Molecular Biology

Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni

Adela Jilkova et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2011)

Article Infectious Diseases

Mining a Cathepsin Inhibitor Library for New Antiparasitic Drug Leads

Kenny K. H. Ang et al.

PLOS NEGLECTED TROPICAL DISEASES (2011)

Article Biochemical Research Methods

XDS

Wolfgang Kabsch

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY (2010)

Article Biochemistry & Molecular Biology

Vinyl Sulfones as Antiparasitic Agents and a Structural Basis for Drug Design

Iain D. Kerr et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2009)

Review Immunology

Immunopathogenesis of human schistosomiasis

M. L. Burke et al.

PARASITE IMMUNOLOGY (2009)

Review Biochemistry & Molecular Biology

Chemotherapy of schistosomiasis: present and future

Conor R. Caffrey

CURRENT OPINION IN CHEMICAL BIOLOGY (2007)

Article Medicine, General & Internal

Schistosomiasis mansoni: Novel chemotherapy using a cysteine protease inhibitor

Maha-Hamadien Abdulla et al.

PLOS MEDICINE (2007)

Article Biochemistry & Molecular Biology

A multienzyme network functions in intestinal protein digestion by a platyhelminth parasite

Melaine Delcroix et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2006)

Review Chemistry, Medicinal

Cysteine protein inhibitors as therapy for parasitic diseases: Advances in inhibitor design

Dietmar Steverding et al.

MINI-REVIEWS IN MEDICINAL CHEMISTRY (2006)

Article Biochemistry & Molecular Biology

Long-term suppression of cathepsin B levels by RNA interference retards schistosome growth

JA Correnti et al.

MOLECULAR AND BIOCHEMICAL PARASITOLOGY (2005)

Article Biochemical Research Methods

Coot:: model-building tools for molecular graphics

P Emsley et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)

Article Biochemistry & Molecular Biology

Structure validation by Cα geometry:: φ,ψ and Cβ deviation

SC Lovell et al.

PROTEINS-STRUCTURE FUNCTION AND GENETICS (2003)

Review Chemistry, Multidisciplinary

Irreversible inhibitors of serine, cysteine, and threonine proteases

JC Powers et al.

CHEMICAL REVIEWS (2002)

Article Chemistry, Medicinal

Potent second generation vinyl sulfonamide inhibitors of the trypanosomal cysteine protease cruzain

WR Roush et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2001)

Article Biochemical Research Methods

Use of TLS parameters to model anisotropic displacements in macromolecular refinement

MD Winn et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2001)

Article Biochemical Research Methods

An approach to multi-copy search in molecular replacement

A Vagin et al.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2000)

Article Biochemistry & Molecular Biology

Crystal structure of human cathepsin V

JR Somoza et al.

BIOCHEMISTRY (2000)

Article Biochemistry & Molecular Biology

A target within the target:: probing Cruzain's P1′ site to define structural determinants for the Chagas' disease protease

LS Brinen et al.

STRUCTURE WITH FOLDING & DESIGN (2000)