Cargando…

In silico Guided Drug Repurposing: Discovery of New Competitive and Non-competitive Inhibitors of Falcipain-2

Malaria is among the leading causes of death worldwide. The emergence of Plasmodium falciparum resistant strains with reduced sensitivity to the first line combination therapy and suboptimal responses to insecticides used for Anopheles vector management have led to renewed interest in novel therapeu...

Descripción completa

Detalles Bibliográficos
Autores principales:	Alberca, Lucas N., Chuguransky, Sara R., Álvarez, Cora L., Talevi, Alan, Salas-Sarduy, Emir
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6691349/ https://www.ncbi.nlm.nih.gov/pubmed/31448257 http://dx.doi.org/10.3389/fchem.2019.00534

Ejemplares similares

Identification of Tight-Binding Plasmepsin II and Falcipain 2 Inhibitors in Aqueous Extracts of Marine Invertebrates by the Combination of Enzymatic and Interaction-Based Assays
por: Salas-Sarduy, Emir, et al.
Publicado: (2017)

Structures of Falcipain-2 and Falcipain-3 Bound to Small Molecule Inhibitors: Implications for Substrate Specificity
por: Kerr, Iain D., et al.
Publicado: (2009)

Discovery of cisplatin-binding proteins by competitive cysteinome profiling
por: Wang, Xianghe, et al.
Publicado: (2023)

Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug Repurposing
por: Bellera, Carolina L., et al.
Publicado: (2014)

Quinazolinones as Competitive Inhibitors of Carbonic Anhydrase-II (Human and Bovine): Synthesis, in-vitro, in-silico, Selectivity, and Kinetics Studies
por: Khan, Ajmal, et al.
Publicado: (2020)

Hemoglobin Cleavage Site-Specificity of the Plasmodium falciparum Cysteine Proteases Falcipain-2 and Falcipain-3
por: Subramanian, Shoba, et al.
Publicado: (2009)

In silico panning for a non-competitive peptide inhibitor
por: Yagi, Yukiko, et al.
Publicado: (2007)

Quinoline-triazole hybrids inhibit falcipain-2 and arrest the development of Plasmodium falciparum at the trophozoite stage
por: Singh, Anju, et al.
Publicado: (2019)

Microsecond-long simulation reveals the molecular mechanism for the dual inhibition of falcipain-2 and falcipain-3 by antimalarial lead compounds
por: Danazumi, Ammar Usman, et al.
Publicado: (2022)

Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin
por: Shi, Yun, et al.
Publicado: (2021)

Structure-Function of Falcipains: Malarial Cysteine Proteases
por: Pandey, Kailash C., et al.
Publicado: (2012)

An integrated platform approach enables discovery of potent, selective and ligand-competitive cyclic peptides targeting the GIP receptor
por: Bhushan, Bhaskar, et al.
Publicado: (2022)

Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic α-amylase
por: Tysoe, Christina R., et al.
Publicado: (2019)

Drug repurposing and computational modeling for discovery of inhibitors of the main protease (M(pro)) of SARS-CoV-2
por: Silva, José Rogério A., et al.
Publicado: (2021)

Discovery of a Selective, Substrate-Competitive Inhibitor of the Lysine Methyltransferase SETD8
por: Ma, Anqi, et al.
Publicado: (2014)

Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor
por: Michaelides, Iacovos N., et al.
Publicado: (2023)

Enzyme Inhibitors from Gorgonians and Soft Corals
por: Córdova-Isaza, Andrea, et al.
Publicado: (2023)

Competitive adsorption phenomenon in shale gas displacement processes
por: Shi, Jihong, et al.
Publicado: (2019)

Query-guided protein–protein interaction inhibitor discovery
por: Celis, Sergio, et al.
Publicado: (2021)

In Silico Study Reveals How E64 Approaches, Binds to, and Inhibits Falcipain-2 of Plasmodium falciparum that Causes Malaria in Humans
por: Salawu, Emmanuel Oluwatobi
Publicado: (2018)

Falcipain 2 inhibitors and antiplasmodial compounds from a bio-guided fractionation of the fruits of Sorindeia juglandifolia A. Rich. (Anacardiaceae) growing in Cameroon
por: Boyom, Fabrice F, et al.
Publicado: (2010)

Discovery of novel non-competitive inhibitors of mammalian neutral M1 aminopeptidase (APN)
por: Pascual, Isel, et al.
Publicado: (2017)

Non-competitive cyclic peptides for targeting enzyme–substrate complexes
por: McAllister, T. E., et al.
Publicado: (2018)

Self-enhanced multicolor electrochemiluminescence by competitive electron-transfer processes
por: Voci, Silvia, et al.
Publicado: (2020)

Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities
por: El-Miligy, Mostafa M. M., et al.
Publicado: (2023)

Combination of Virtual Screening Protocol by in Silico toward the Discovery of Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors
por: Fu, Ying, et al.
Publicado: (2018)

Master competitive analytics with Oracle Endeca information discovery
por: Sun, Helen, et al.
Publicado: (2015)

Editorial: In silico Methods for Drug Design and Discovery
por: Brogi, Simone, et al.
Publicado: (2020)

Water vs. cucurbituril rim: a fierce competition for guest solvation
por: Ling, Xiaoxi, et al.
Publicado: (2016)

Collaboration, competition and publication in toxicology: views of British Toxicology Society members
por: Walker, Emma S., et al.
Publicado: (2019)

Mesoporous adsorbent for competitive adsorption of fluoride ions in zinc sulfate solution
por: Liang, Lisi, et al.
Publicado: (2021)

Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1
por: Kickinger, Stefanie, et al.
Publicado: (2021)

Serendipitous Discovery of a Competitive Inhibitor of FraB, a Salmonella Deglycase and Drug Target
por: Thirugnanasambantham, Pankajavalli, et al.
Publicado: (2022)

In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
por: Nkungli, Nyiang Kennet, et al.
Publicado: (2023)

Antiseizure medication discovery: Recent and future paradigm shifts
por: Talevi, Alan
Publicado: (2022)

Micro-competition system for Raman quantification of multiple glycans on intact cell surface
por: Chen, Yunlong, et al.
Publicado: (2015)

Competition-driven selection in covalent dynamic networks and implementation in organic reactional selectivity
por: Kovaříček, P., et al.
Publicado: (2016)

Competitive coordination strategy for the synthesis of hierarchical-pore metal–organic framework nanostructures
por: He, Su, et al.
Publicado: (2016)

Hydrothermal synthesis and competitive growth of flake-like M-type strontium hexaferrite
por: Jing, Yilong, et al.
Publicado: (2019)

Dissipative self-assembly, competition and inhibition in a self-reproducing protocell model
por: Post, Elias A. J., et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_1hmejdr4tb7hk1j6l8dipno09j