Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets

Potential therapeutic targets and the role of technology in developing novel antileishmanial drugs

(2015) Rajalakshmi Rajasekaran et al.   DRUG DISCOVERY TODAY

The Promise of Plant-Derived Substances as Inhibitors of Arginase

(2015) C. Girard-Thernier et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

In-silico Analyses of Natural Products on Leishmania Enzyme Targets

(2015) L. Scotti et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Fruitful Decade for Antileishmanial Compounds from 2002 to Late 2011

(2014) Hidayat Hussain et al.   CHEMICAL REVIEWS

New perspectives for leishmaniasis chemotherapy over current anti-leishmanial drugs: a patent landscape

(2014) Alice Machado-Silva et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets

(2014) Alfonso T. García-Sosa et al.   Journal of Chemical Information and Modeling

MetIDB: A Publicly Accessible Database of Predicted and Experimental 1H NMR Spectra of Flavonoids

(2013) Velitchka V. Mihaleva et al.   ANALYTICAL CHEMISTRY

Simple and General Criterion for “in silico” Screening of Candidate HIV Drugs

(2013) Nevena Veljkovic et al.   CURRENT PHARMACEUTICAL BIOTECHNOLOGY

Epidemiological surveillance of leishmaniasis in the European Union: operational and research challenges

(2013) L Gradoni   Eurosurveillance

Dietary flavonoids fisetin, luteolin and their derived compounds inhibit arginase, a central enzyme in Leishmania (Leishmania) amazonensis infection

(2013) Leticia Correa Manjolin et al.   FOOD CHEMISTRY

Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies

(2013) Alfonso T. García-Sosa   Journal of Chemical Information and Modeling

Leishmanicidal activity of Cecropia pachystachya flavonoids: Arginase inhibition and altered mitochondrial DNA arrangement

(2013) Ebenézer de Mello Cruz et al.   PHYTOCHEMISTRY

Crystal Structure of the DNA Cytosine Deaminase APOBEC3F: The Catalytically Active and HIV-1 Vif-Binding Domain

(2013) Markus-Frederik Bohn et al.   STRUCTURE

Leishmaniasis Worldwide and Global Estimates of Its Incidence

(2012) Jorge Alvar et al.   PLoS One

The role of long-range intermolecular interactions in discovery of new drugs

(2011) Nevena Veljkovic et al.   Expert Opinion on Drug Discovery

Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase

(2011) Alfonso T. García-Sosa et al.   Journal of Chemical Information and Modeling

KNApSAcK Family Databases: Integrated Metabolite–Plant Species Databases for Multifaceted Plant Research

(2011) Farit Mochamad Afendi et al.   PLANT AND CELL PHYSIOLOGY

Polyamine metabolism in Leishmania: from arginine to trypanothione

(2010) Gianni Colotti et al.   AMINO ACIDS

Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex

(2010) Alfonso T. García-Sosa et al.   Molecular Informatics

Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening

(2009) Ángel Durán et al.   Journal of Chemical Information and Modeling

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Leishmania major lacking arginase (ARG) are auxotrophic for polyamines but retain infectivity to susceptible BALB/c mice

(2009) Rosa M. Reguera et al.   MOLECULAR AND BIOCHEMICAL PARASITOLOGY

Proteophosophoglycans Regurgitated by Leishmania-Infected Sand Flies Target the L-Arginine Metabolism of Host Macrophages to Promote Parasite Survival

(2009) Matthew Rogers et al.   PLoS Pathogens

Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields

(2008) Ángel Durán et al.   Journal of Chemical Information and Modeling