Parasitic Protozoans: Exploring the Potential of N,N’-Bis[2-(5-bromo-7-azabenzimidazol-1-yl)-2-oxoethyl]ethylene-1,3-Diamine and Its Cyclohexyl-1,2-diamine Analogue as TryR and Pf-DHODH Inhibitors

Parasite co-infection: an ecological, molecular and experimental perspective

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Prevalence and outcomes of malaria as co-infection among patients with human African trypanosomiasis: a systematic review and meta-analysis

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Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT‐Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides

(2021) Norma Flores‐Holguín et al.   ChemistryOpen

Polarizability: a promising descriptor to study chemical–biological interactions

(2020) Hiteshi Tandon et al.   MOLECULAR DIVERSITY

Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme

(2020) Lorenzo Turcano et al.   PLoS Neglected Tropical Diseases

The past, present and future of anti-malarial medicines

(2019) Edwin G. Tse et al.   MALARIA JOURNAL

Expanding the SAR of Nontoxic Antiplasmodial Indolyl-3-ethanone Ethers and Thioethers

(2018) Mayibongwe J. Lunga et al.   ChemMedChem

Drug resistance in Plasmodium

(2018) Kasturi Haldar et al.   NATURE REVIEWS MICROBIOLOGY

Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies

(2018) Agnese C. Pippione et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Assessing the similarity of ligand binding conformations with the Contact Mode Score

(2016) Yun Ding et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Identification of novelPfDHODH inhibitors as antimalarial agents via pharmacophore-based virtual screening followed by molecular docking andin vivoantimalarial activity

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CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

Exploring the binding properties of agonists interacting with human TGR5 using structural modeling, molecular docking and dynamics simulations

(2015) Thangaraj Sindhu et al.   RSC Advances

Biochemical and Antiparasitic Properties of Inhibitors of the Plasmodium falciparum Calcium-Dependent Protein Kinase PfCDPK1

(2014) Keith H. Ansell et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Binding to Large Enzyme Pockets: Small-Molecule Inhibitors of Trypanothione Reductase

(2014) Elke Persch et al.   ChemMedChem

Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors

(2014) Paul A Barsanti et al.   ACS Medicinal Chemistry Letters

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

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Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

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Drug resistance in African trypanosomiasis: the melarsoprol and pentamidine story

(2013) Nicola Baker et al.   TRENDS IN PARASITOLOGY

Neurological trypanosomiasis in quinapyramine sulfate-treated horses—a breach of the blood–brain barrier?

(2013) Muthusamy Ranjithkumar et al.   TROPICAL ANIMAL HEALTH AND PRODUCTION

Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKKε kinases

(2012) Tao Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

(2012) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

Synthesis and evaluation of substrate analogue inhibitors of trypanothione reductase

(2011) Michael H. Duyzend et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Novel Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Anti-malarial Activity in the Mouse Model

(2010) Michael L. Booker et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A Molecular Mechanism for Eflornithine Resistance in African Trypanosomes

(2010) Isabel M. Vincent et al.   PLoS Pathogens

ADDME – Avoiding Drug Development Mistakes Early: central nervous system drug discovery perspective

(2009) Katya Tsaioun et al.   BMC Neurology

Investigation of Trypanothione Reductase as a Drug Target inTrypanosoma brucei

(2009) Daniel Spinks et al.   ChemMedChem

Trypanocidal drugs: mechanisms, resistance and new targets

(2009) Shane R. Wilkinson et al.   EXPERT REVIEWS IN MOLECULAR MEDICINE

The history of African trypanosomiasis

(2008) Dietmar Steverding   Parasites & Vectors