Cargando…

Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs

Identification of potential drug targets as well as development of novel antimalarial chemotherapies with unique mode of actions due to drug resistance by Plasmodium parasites are inevitable. Falcipains (falcipain-2 and falcipain-3) of Plasmodium falciparum, which catalyse the haemoglobin degradatio...

Descripción completa

Detalles Bibliográficos
Autores principales:	Musyoka, Thommas M., Kanzi, Aquillah M., Lobb, Kevin A., Tastan Bishop, Özlem
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4814779/ https://www.ncbi.nlm.nih.gov/pubmed/27030511 http://dx.doi.org/10.1038/srep23690

Ejemplares similares

SANCDB: an update on South African natural compounds and their readily available analogs
por: Diallo, Bakary N’tji, et al.
Publicado: (2021)

South African Abietane Diterpenoids and Their Analogs as Potential Antimalarials: Novel Insights from Hybrid Computational Approaches
por: Musyoka, Thommas, et al.
Publicado: (2019)

Characterisation of plasmodial transketolases and identification of potential inhibitors: an in silico study
por: Boateng, Rita Afriyie, et al.
Publicado: (2020)

SANCDB: a South African natural compound database
por: Hatherley, Rowan, et al.
Publicado: (2015)

Force Field Parameters for Fe(2+)(4)S(2−)(4) Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies
por: Tendwa, Maureen Bilinga, et al.
Publicado: (2021)

Comparing sequence and structure of falcipains and human homologs at prodomain and catalytic active site for malarial peptide based inhibitor design
por: Musyoka, Thommas Mutemi, et al.
Publicado: (2019)

Deciphering Isoniazid Drug Resistance Mechanisms on Dimeric Mycobacterium tuberculosis KatG via Post-molecular Dynamics Analyses Including Combined Dynamic Residue Network Metrics
por: Barozi, Victor, et al.
Publicado: (2022)

JMS: An Open Source Workflow Management System and Web-Based Cluster Front-End for High Performance Computing
por: Brown, David K., et al.
Publicado: (2015)

Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidase
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2020)

Allosteric pockets and dynamic residue network hubs of falcipain 2 in mutations including those linked to artemisinin resistance
por: Okeke, Chiamaka Jessica, et al.
Publicado: (2021)

Discorhabdin N, a South African Natural Compound, for Hsp72 and Hsc70 Allosteric Modulation: Combined Study of Molecular Modeling and Dynamic Residue Network Analysis
por: Amusengeri, Arnold, et al.
Publicado: (2019)

Anti-HIV-1 integrase potency of methylgallate from Alchornea cordifolia using in vitro and in silico approaches
por: Siwe-Noundou, Xavier, et al.
Publicado: (2019)

Potential repurposing of four FDA approved compounds with antiplasmodial activity identified through proteome scale computational drug discovery and in vitro assay
por: Diallo, Bakary N’tji, et al.
Publicado: (2021)

Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2018)

Improving fold resistance prediction of HIV-1 against protease and reverse transcriptase inhibitors using artificial neural networks
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2017)

Looking for Needles in the Plasmodial Haystack
por: Hviid, Lars
Publicado: (2019)

Cysteine Proteases
por: Grzonka, Zbigniew, et al.
Publicado: (2007)

Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Plasmodium falciparum Hsp70s
por: Amusengeri, Arnold, et al.
Publicado: (2019)

Plasmodial Kinase Inhibitors: License to Cure?
por: Cabrera, Diego González, et al.
Publicado: (2018)

Analysis of additivity and synergism in the anti-plasmodial effect of purified compounds from plant extracts
por: Deharo, Eric, et al.
Publicado: (2011)

Compounds from Sorindeia juglandifolia (Anacardiaceae) exhibit potent anti-plasmodial activities in vitro and in vivo
por: Kamkumo, Raceline G, et al.
Publicado: (2012)

Rosette-Disrupting Effect of an Anti-Plasmodial Compound for the Potential Treatment of Plasmodium falciparum Malaria Complications
por: Ch’ng, Jun-Hong, et al.
Publicado: (2016)

Cytotoxic and Anti-Plasmodial Activities of Stephania dielsiana Y.C. Wu Extracts and the Isolated Compounds
por: Knockleby, James, et al.
Publicado: (2020)

The diaryl-imidazopyridazine anti-plasmodial compound, MMV652103, exhibits anti-breast cancer activity
por: Neumann-Mufweba, Alexis, et al.
Publicado: (2022)

Short Linear Motifs (SLiMs) in “Core” RxLR Effectors of Phytophthora parasitica var. nicotianae: a Case of PpRxLR1 Effector
por: Chepsergon, Jane, et al.
Publicado: (2022)

Inhibitor of Cysteine Protease of Plasmodium malariae Regulates Malapains, Endogenous Cysteine Proteases of the Parasite
por: Lê, Hương Giang, et al.
Publicado: (2022)

Anti-plasmodial and Chloroquine Resistance Suppressive Effects of Embelin
por: Zaid, O.I., et al.
Publicado: (2017)

An Update on Development of Small-Molecule Plasmodial Kinase Inhibitors
por: Moolman, Chantalle, et al.
Publicado: (2020)

Plasmodial Kinase Inhibitors Targeting Malaria: Recent Developments
por: Mustière, Romain, et al.
Publicado: (2020)

Cysteine proteases in protozoan parasites
por: Siqueira-Neto, Jair L., et al.
Publicado: (2018)

Proteinaceous cysteine protease inhibitors
por: Dubin, G.
Publicado: (2005)

Intron Derived Size Polymorphism in the Mitochondrial Genomes of Closely Related Chrysoporthe Species
por: Kanzi, Aquillah Mumo, et al.
Publicado: (2016)

Repurposing Anti-Dengue Compounds against Monkeypox Virus Targeting Core Cysteine Protease
por: Imran, Mohd, et al.
Publicado: (2023)

Heterologous expression of plasmodial proteins for structural studies and functional annotation
por: Birkholtz, Lyn-Marie, et al.
Publicado: (2008)

In Vitro Anti-plasmodial activity of Trigonella foenum–graecum L.
por: Palaniswamy, M., et al.
Publicado: (2010)

Next Generation Sequencing and Bioinformatics Analysis of Family Genetic Inheritance
por: Kanzi, Aquillah M., et al.
Publicado: (2020)

Marine-Derived Streptomyces sennicomposti GMY01 with Anti-Plasmodial and Anticancer Activities: Genome Analysis, In Vitro Bioassay, Metabolite Profiling, and Molecular Docking
por: Widada, Jaka, et al.
Publicado: (2023)

THE ROLE OF CYSTEINE PROTEASE IN ALZHEIMER DISEASE
por: Hasanbasic, Samra, et al.
Publicado: (2016)

Anti-plasmodial activity of Dicoma tomentosa (Asteraceae) and identification of urospermal A-15-O-acetate as the main active compound
por: Jansen, Olivia, et al.
Publicado: (2012)

Human Cytochrome P450 1, 2, 3 Families as Pharmacogenes with Emphases on Their Antimalarial and Antituberculosis Drugs and Prevalent African Alleles
por: Chamboko, Chiratidzo R., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_kuohh1450fukdrduvafi8pv76p