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drug discovery

  • Discovery of Amoebicidal Compounds by Combining Computational and Experimental Approaches
    Experimental Therapeutics
    Discovery of Amoebicidal Compounds by Combining Computational and Experimental Approaches

    Pathogenic and opportunistic free-living amoebae such as Acanthamoeba spp. can cause keratitis (Acanthamoeba keratitis [AK]), which may ultimately lead to permanent visual impairment or blindness. Acanthamoeba can also cause rare but usually fatal granulomatous amoebic encephalitis (GAE). Current therapeutic options for AK require a lengthy treatment with nonspecific drugs that are often associated with...

    Víctor Sebastián-Pérez, Ines Sifaoui, María Reyes-Batlle, Angélica Domínguez-De Barros, Atteneri López-Arencibia, Nuria E. Campillo, José E. Piñero, Jacob Lorenzo-Morales, Carmen Gil
  • Open Access
    Identification of Small-Molecule Inhibitors Targeting <span class="named-content genus-species" id="named-content-1">Porphyromonas gingivalis</span> Interspecies Adherence and Determination of Their <em>In Vitro</em> and <em>In Vivo</em> Efficacies
    Experimental Therapeutics
    Identification of Small-Molecule Inhibitors Targeting Porphyromonas gingivalis Interspecies Adherence and Determination of Their In Vitro and In Vivo Efficacies

    Porphyromonas gingivalis is one of the primary causative agents of periodontal disease and initially colonizes the oral cavity by adhering to commensal streptococci. Adherence requires the interaction of a minor fimbrial protein (Mfa1) of P. gingivalis with streptococcal antigen I/II (AgI/II). Our...

    Mohammad Roky, Jinlian Tan, Maryta N. Sztukowska, John O. Trent, Donald R. Demuth
  • Open Access
    Discovery and Preclinical Development of Antigiardiasis Fumagillol Derivatives
    Experimental Therapeutics
    Discovery and Preclinical Development of Antigiardiasis Fumagillol Derivatives

    Giardiasis, caused by the intestinal parasite Giardia lamblia, is a severe diarrheal disease, endemic in poverty-stricken regions of the world, and also a common infection in developed countries. The available therapeutic options are associated with adverse effects, and G. lamblia resistance to the...

    Janak Padia, Liudmila Kulakova, Andrey Galkin, Osnat Herzberg
  • Orally Bioavailable Endochin-Like Quinolone Carbonate Ester Prodrug Reduces <span class="named-content genus-species" id="named-content-1">Toxoplasma gondii</span> Brain Cysts
    Experimental Therapeutics
    Orally Bioavailable Endochin-Like Quinolone Carbonate Ester Prodrug Reduces Toxoplasma gondii Brain Cysts

    Toxoplasmosis is a potentially fatal infection for immunocompromised people and the developing fetus. Current medicines for toxoplasmosis have high rates of adverse effects that interfere with therapeutic and prophylactic regimens. Endochin-like quinolones (ELQs) are potent inhibitors of Toxoplasma gondii proliferation in vitro and in animal models of acute...

    J. Stone Doggett, Tracey Schultz, Alyssa J. Miller, Igor Bruzual, Sovitj Pou, Rolf Winter, Rozalia Dodean, Lev N. Zakharov, Aaron Nilsen, Michael K. Riscoe, Vern B. Carruthers
  • <em>In Vitro</em> and <em>In Vivo</em> Characterization of Potent Antileishmanial Methionine Aminopeptidase 1 Inhibitors
    Experimental Therapeutics
    In Vitro and In Vivo Characterization of Potent Antileishmanial Methionine Aminopeptidase 1 Inhibitors

    Leishmania major is the causative agent of cutaneous leishmaniasis (CL). No human vaccine is available for CL, and current drug regimens present several drawbacks, such as emerging resistance, severe toxicity, medium effectiveness, and/or high cost. Thus, the need for better treatment options against CL is a priority. In the present study, we validate the enzyme...

    Felipe Rodriguez, Sarah F. John, Eva Iniguez, Sebastian Montalvo, Karina Michael, Lyndsey White, Dong Liang, Omonike A. Olaleye, Rosa A. Maldonado
  • <em>In Vitro</em> Screening of the Open-Source Medicines for Malaria Venture Malaria and Pathogen Boxes To Discover Novel Compounds with Activity against <span class="named-content genus-species" id="named-content-1">Balamuthia mandrillaris</span>
    Susceptibility
    In Vitro Screening of the Open-Source Medicines for Malaria Venture Malaria and Pathogen Boxes To Discover Novel Compounds with Activity against Balamuthia mandrillaris

    Balamuthia mandrillaris is an under-reported, pathogenic free-living amoeba that causes Balamuthia amoebic encephalitis (BAE) and cutaneous skin infections. Although cutaneous infections are not typically lethal, BAE with or without cutaneous involvement is usually fatal. This is due to the lack of drugs that are both efficacious and can cross the blood-brain...

    Christopher A. Rice, Luis Fernando Lares-Jiménez, Fernando Lares-Villa, Dennis E. Kyle
  • Open Access
    A Biosynthetic Platform for Antimalarial Drug Discovery
    Chemistry; Biosynthesis
    A Biosynthetic Platform for Antimalarial Drug Discovery

    Advances in synthetic biology have enabled the production of a variety of compounds using bacteria as a vehicle for complex compound biosynthesis. Violacein, a naturally occurring indole pigment with antibiotic properties, can be biosynthetically engineered in Escherichia coli expressing its nonnative synthesis pathway. To explore whether this synthetic biosynthesis...

    Mark D. Wilkinson, Hung-En Lai, Paul S. Freemont, Jake Baum
  • Open Access
    Lead Optimization of Dehydroemetine for Repositioned Use in Malaria
    Pharmacology
    Lead Optimization of Dehydroemetine for Repositioned Use in Malaria

    Drug repositioning offers an effective alternative to de novo drug design to tackle the urgent need for novel antimalarial treatments. The antiamoebic compound emetine dihydrochloride has been identified as a potent in vitro inhibitor of the multidrug-resistant strain K1 of Plasmodium falciparum (50% inhibitory concentration [IC50], 47 nM...

    Priyanka Panwar, Kepa K. Burusco, Muna Abubaker, Holly Matthews, Andrey Gutnov, Elena Fernández-Álvaro, Richard A. Bryce, James Wilkinson, Niroshini Nirmalan
  • Open Access
    Mechanism-of-Action Classification of Antibiotics by Global Transcriptome Profiling
    Mechanisms of Action: Physiological Effects
    Mechanism-of-Action Classification of Antibiotics by Global Transcriptome Profiling

    Antimicrobial resistance (AMR) is an ever-growing public health problem worldwide. The low rate of antibiotic discovery coupled with the rapid spread of drug-resistant bacterial pathogens is causing a global health crisis. To facilitate the drug discovery processes, we present a large-scale study of reference antibiotic challenge bacterial transcriptome profiles, which included 37 antibiotics across 6 mechanisms of actions (MOAs) and...

    Aubrie O’Rourke, Sinem Beyhan, Yongwook Choi, Pavel Morales, Agnes P. Chan, Josh L. Espinoza, Chris L. Dupont, Kirsten J. Meyer, Amy Spoering, Kim Lewis, William C. Nierman, Karen E. Nelson
  • Quinazoline-Based Antivirulence Compounds Selectively Target <em>Salmonella</em> PhoP/PhoQ Signal Transduction System
    Biologic Response Modifiers
    Quinazoline-Based Antivirulence Compounds Selectively Target Salmonella PhoP/PhoQ Signal Transduction System

    The rapid emergence of multidrug resistance among bacterial pathogens has become a significant challenge to human health in our century. Therefore, development of next-generation antibacterial compounds is an urgent need. Two-component signal transduction systems (TCS) are stimulus-response coupling devices that allow bacteria to sense and elaborate adaptive responses to changing environmental conditions, including the challenges that...

    María Ayelén Carabajal, Christopher R. M. Asquith, Tuomo Laitinen, Graham J. Tizzard, Lucía Yim, Analía Rial, José A. Chabalgoity, William J. Zuercher, Eleonora García Véscovi

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