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Publisher : public library of science (plos)

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Rate-of-Kill (RoK) assays to triage large compound sets for Chagas disease drug discovery: Application to GSK Chagas Box

Authors : Juan Cantizani; Ignacio Cotillo; Pablo Gamallo

Subjects: Azoles; 0301 basic medicine; Life Cycles

Source: PLoS Neglected Tropical Diseases, Vol 15, Iss 7, p e0009602 (2021)PLoS Neglected Tropical Diseases

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Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba

Authors : Justin K. Craig; Ian Chun; Dennis E. Kyle

Subjects: Protein Structure Comparison; 0301 basic medicine; Protein-Arginine N-Methyltransferases

Source: PLoS ONE, Vol 16, Iss 3, p e0241738 (2021)PLoS ONE

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Identification of natural cytochalasins as leads for neglected tropical diseases drug discovery

Authors : Marilia Valli; Julia Medeiros Souza; Rafael Consolin Chelucci

Subjects: Biological Products; Multidisciplinary; Trypanosoma cruzi

Source: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)Universidade de São Paulo (USP)instacron:USP

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Ten simple rules to power drug discovery with data science

Authors : Erik K Sassaman; Peter Skewes-Cox; Philippe Marc

Subjects: Science and Technology Workforce; Computer and Information Sciences; 2019-20 coronavirus outbreak

Source: PLoS Computational Biology, Vol 16, Iss 8, p e1008126 (2020)PLoS Computational Biology

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A fragment-based drug discovery developed on ciclopirox for inhibition of Hepatitis B virus core protein: An in silico study

Authors : Alireza Mohebbi; Touba Ghorbanzadeh; Shabnam Naderifar

Subjects: Multidisciplinary

Source: PLOS ONE. 18:e0285941

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Developing a computational toolbased on an artificial neural network for predicting and optimizing propolis oil, an important natural product for drug discovery

Authors : Gayatree Nayak; Akankshya Sahu; Sanat Kumar Bhuyan

Subjects: Multidisciplinary

Source: PLOS ONE. 18:e0283766

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Semantic text mining in early drug discovery for type 2 diabetes

Authors : Martijn van de Bunt; Malene Revsbech Christiansen; Sune Pletscher-Frankild

Subjects: 0301 basic medicine; Text Mining; Physiology

Source: PLoS ONEHansson, L K, Hansen, R B, Pletscher-Frankild, S, Berzins, R, Hansen, D H, Madsen, D, Christensen, S B, Revsbech Christiansen, M, Boulund, U, Wolf, X A, Kjærulff, S K, van de Bunt, M,

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Live-imaging rate-of-kill compound profiling for Chagas disease drug discovery with a new automated high-content assay

Authors : David W. Gray; Nina Svensen; Manu De Rycker

Subjects: Life Cycles; RC955-962; Drug Evaluation, Preclinical

Source: PLoS Neglected Tropical DiseasesPLoS Neglected Tropical Diseases, Vol 15, Iss 10, p e0009870 (2021)

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A seeding-based neuronal model of tau aggregation for use in drug discovery

Authors : Ines S. Amorim; Sylvie Challal; Laetitia Cistarelli

Subjects: Multidisciplinary

Source: PLOS ONE. 18:e0283941

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SARS-CoV-2 tropism, entry, replication, and propagation: Considerations for drug discovery and development

Authors : Linda A. Lieberman; Nicholas Murgolo; Alex G. Therien

Subjects: RNA viruses; Viral Diseases; Lung Development

Source: PLoS Pathogens, Vol 17, Iss 2, p e1009225 (2021)PLoS Pathogens

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