Cargando…

Slipknot or Crystallographic Error: A Computational Analysis of the Plasmodium falciparum DHFR Structural Folds

The presence of protein structures with atypical folds in the Protein Data Bank (PDB) is rare and may result from naturally occurring knots or crystallographic errors. Proper characterisation of such folds is imperative to understanding the basis of naturally existing knots and correcting crystallog...

Descripción completa

Detalles Bibliográficos
Autores principales:	Tata, Rolland B., Alsulami, Ali F., Sheik Amamuddy, Olivier, Blundell, Tom L., Tastan Bishop, Özlem
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8835989/ https://www.ncbi.nlm.nih.gov/pubmed/35163439 http://dx.doi.org/10.3390/ijms23031514

Ejemplares similares

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)

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

MDM-TASK-web: MD-TASK and MODE-TASK web server for analyzing protein dynamics
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2021)

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)

Probing the Structural Dynamics of the Plasmodium falciparum Tunneling-Fold Enzyme 6-Pyruvoyl Tetrahydropterin Synthase to Reveal Allosteric Drug Targeting Sites
por: Khairallah, Afrah, et al.
Publicado: (2020)

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)

Novel dynamic residue network analysis approaches to study allosteric modulation: SARS-CoV-2 M(pro) and its evolutionary mutations as a case study
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2021)

Concurrence of Plasmodium falciparum dhfr and crt mutations in northern Ghana
por: Mockenhaupt, Frank P, et al.
Publicado: (2005)

Formation of Cystine Slipknots in Dimeric Proteins
por: Sikora, Mateusz, et al.
Publicado: (2013)

MODE-TASK: large-scale protein motion tools
por: Ross, Caroline, et al.
Publicado: (2018)

MOLECULAR SURVEILLANCE OF Plasmodium vivax AND Plasmodium falciparum DHFR MUTATIONS IN ISOLATES FROM SOUTHERN IRAN
por: SHARIFI-SARASIABI, Khojasteh, et al.
Publicado: (2016)

Antiviral Mechanisms of N-Phenyl Benzamides on Coxsackie Virus A9
por: Laajala, Mira, et al.
Publicado: (2023)

In vitro susceptibility to pyrimethamine of DHFR I164L single mutant Plasmodium falciparum
por: Andriantsoanirina, Valérie, et al.
Publicado: (2011)

MD-TASK: a software suite for analyzing molecular dynamics trajectories
por: Brown, David K, et al.
Publicado: (2017)

Integrated Computational Approaches and Tools for Allosteric Drug Discovery
por: Sheik Amamuddy, Olivier, et al.
Publicado: (2020)

Understanding the Pyrimethamine Drug Resistance Mechanism via Combined Molecular Dynamics and Dynamic Residue Network Analysis
por: Amusengeri, Arnold, et al.
Publicado: (2020)

KnotProt: a database of proteins with knots and slipknots
por: Jamroz, Michal, et al.
Publicado: (2014)

Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening
por: Hoarau, Marie, et al.
Publicado: (2021)

Identification of Selective Novel Hits against Plasmodium falciparum Prolyl tRNA Synthetase Active Site and a Predicted Allosteric Site Using In Silico Approaches
por: Nyamai, Dorothy Wavinya, et al.
Publicado: (2020)

Homology building as a means to define antigenic epitopes on dihydrofolate reductase (DHFR) from Plasmodium falciparum
por: Alifrangis, Michael, et al.
Publicado: (2004)

Mechanical Strength of 17 134 Model Proteins and Cysteine Slipknots
por: Sikora, Mateusz, et al.
Publicado: (2009)

High prevalence of dhfr and dhps molecular markers in Plasmodium falciparum in pregnant women of Nchelenge district, Northern Zambia
por: Siame, Mwiche NP, et al.
Publicado: (2015)

High prevalence of mutation in the Plasmodium falciparum dhfr and dhps genes in field isolates from Sabah, Northern Borneo
por: Abdullah, Noor Rain, et al.
Publicado: (2013)

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

Polyphenols Epigallocatechin Gallate and Resveratrol, and Polyphenol-Functionalized Nanoparticles Prevent Enterovirus Infection through Clustering and Stabilization of the Viruses
por: Reshamwala, Dhanik, et al.
Publicado: (2021)

Decoding the Molecular Effects of Atovaquone Linked Resistant Mutations on Plasmodium falciparum Cytb-ISP Complex in the Phospholipid Bilayer Membrane
por: Chebon-Bore, Lorna, et al.
Publicado: (2021)

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)

Polymorphism in dhfr/dhps genes, parasite density and ex vivo response to pyrimethamine in Plasmodium falciparum malaria parasites in Thies, Senegal()
por: Ndiaye, Daouda, et al.
Publicado: (2013)

A new structural class of bacterial thioester domains reveals a slipknot topology
por: Miller, Ona K., et al.
Publicado: (2018)

Slipknotted and unknotted monovalent cation-proton antiporters evolved from a common ancestor
por: Zayats, Vasilina, et al.
Publicado: (2021)

Genetic mutations in Plasmodium falciparum and Plasmodium vivax dihydrofolate reductase (DHFR) and dihydropteroate synthase (DHPS) in Vanuatu and Solomon Islands prior to the introduction of artemisinin combination therapy
por: Gresty, Karryn J, et al.
Publicado: (2014)

Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study
por: Al-Wahaibi, Lamya H., et al.
Publicado: (2020)

Rapid increase of Plasmodium falciparum dhfr/dhps resistant haplotypes, after the adoption of sulphadoxine-pyrimethamine as first line treatment in 2002, in southern Mozambique
por: Enosse, Sonia, et al.
Publicado: (2008)

The evolution of pyrimethamine resistant dhfr in Plasmodium falciparum of south-eastern Tanzania: comparing selection under SP alone vs SP+artesunate combination
por: Malisa, Allen L, et al.
Publicado: (2011)

Polymorphism of Drug Resistance Genes dhfr and dhps in Plasmodium falciparum Isolates among Chinese Migrant Workers Who Returned from Ghana in 2013
por: Quan, Hong, et al.
Publicado: (2023)

Plasmodium vivax dhfr Mutations among Isolates from Malarious Areas of Iran
por: Zaman, Jalal, et al.
Publicado: (2011)

Molecular surveillance of Plasmodium vivax dhfr and dhps mutations in isolates from Afghanistan
por: Zakeri, Sedigheh, et al.
Publicado: (2010)

Declining trend of Plasmodium falciparum dihydrofolate reductase (dhfr) and dihydropteroate synthase (dhps) mutant alleles after the withdrawal of Sulfadoxine-Pyrimethamine in North Western Ethiopia
por: Tessema, Sofonias K., et al.
Publicado: (2015)

Plasmodium falciparum DHFR and DHPS Mutations Are Associated With HIV-1 Co-Infection and a Novel DHPS Mutation I504T Is Identified in Western Kenya
por: Torrevillas, Brandi K., et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_udlk2l31t20aj4jifo1r1je1bq