Cargando…

Theoretical Investigation of the Enantioselective Complexations between pfDHFR and Cycloguanil Derivatives

Point mutations in Plasmodium falciparum dihydrofolate reductase (pfDHFR), especially the double mutant variant (A16V + S108T), led to ineffective inhibiting by cycloguanil (Cyc). Cycloguanil derivatives showed good inhibiting properties against wild-type and mutant pfDHFR with an inhibition constan...

Descripción completa

Detalles Bibliográficos
Autores principales:	Kulatee, Suriyawut, Toochinda, Pisanu, Suksangpanomrung, Anotai, Lawtrakul, Luckhana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5748534/ https://www.ncbi.nlm.nih.gov/pubmed/29160825 http://dx.doi.org/10.3390/scipharm85040037

Ejemplares similares

Structural and Dynamics Perspectives on the Binding of Substrate and Inhibitors in Mycobacterium tuberculosis DHFR
por: Sittikornpaiboon, Pimonluck, et al.
Publicado: (2017)

Structural Investigation of Beta-Cyclodextrin Complexes with Cannabidiol and Delta-9-Tetrahydrocannabinol in 1:1 and 2:1 Host-Guest Stoichiometry: Molecular Docking and Density Functional Calculations
por: Triamchaisri, Nat, et al.
Publicado: (2023)

Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution
por: Jitapunkul, Kulpavee, et al.
Publicado: (2021)

Molecular docking analysis of phyto-constituents from Cannabis sativa with pfDHFR
por: David, Temitope.I, et al.
Publicado: (2018)

Host-Guest Interactions of Plumbagin with β-Cyclodextrin, Dimethyl-β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin: Semi-Empirical Quantum Mechanical PM6 and PM7 Methods
por: Srihakulung, Ornin, et al.
Publicado: (2018)

Cycloguanil and Analogues Potently Target DHFR in Cancer Cells to Elicit Anti-Cancer Activity
por: Brown, Jennifer I., et al.
Publicado: (2023)

Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus
por: Tonelli, Michele, et al.
Publicado: (2017)

Predicting Complexation Thermodynamic Parameters of β-Cyclodextrin with Chiral Guests by Using Swarm Intelligence and Support Vector Machines
por: Prakasvudhisarn, Chakguy, et al.
Publicado: (2009)

Influence of Ethanol as a Co-Solvent in Cyclodextrin Inclusion Complexation: A Molecular Dynamics Study
por: Boonyarattanakalin, Kanokthip, et al.
Publicado: (2015)

Proguanil and cycloguanil are organic cation transporter and multidrug and toxin extrusion substrates
por: van der Velden, Maarten, et al.
Publicado: (2017)

Evaluation of prevalence's of pfdhfr and pfdhps mutations in Angola
por: Fortes, Filomeno, et al.
Publicado: (2011)

Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase
por: Tassone, Giusy, et al.
Publicado: (2021)

Molecular docking and QSAR studies for modeling the antimalarial activity of hybrids 4-anilinoquinoline-triazines derivatives with the wild-type and mutant receptor pf-DHFR
por: Hadni, Hanine, et al.
Publicado: (2019)

Molecular docking studies on DMDP derivatives as human DHFR inhibitors
por: Srivastava, Vivek, et al.
Publicado: (2008)

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)

Prevalence of pfmdr1, pfcrt, pfdhfr and pfdhps mutations associated with drug resistance, in Luanda, Angola
por: Figueiredo, Paula, et al.
Publicado: (2008)

The identification of novel Mycobacterium tuberculosis DHFR inhibitors and the investigation of their binding preferences by using molecular modelling
por: Hong, Wei, et al.
Publicado: (2015)

Regulation of eDHFR-tagged proteins with trimethoprim PROTACs
por: Etersque, Jean M., et al.
Publicado: (2023)

A False Alarm Reduction Method for a Gas Sensor Based Electronic Nose
por: Rahman, Mohammad Mizanur, et al.
Publicado: (2017)

Seasonal Malaria Chemoprevention with Sulphadoxine-Pyrimethamine and Amodiaquine Selects Pfdhfr-dhps Quintuple Mutant Genotype in Mali
por: Maiga, Hamma, et al.
Publicado: (2016)

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

DHFR Inhibitors: Reading the Past for Discovering Novel Anticancer Agents
por: Raimondi, Maria Valeria, et al.
Publicado: (2019)

Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors
por: Haque, M. Akiful, et al.
Publicado: (2023)

Prevalence of Mutations in the Pfdhfr, Pfdhps, and Pfmdr1 Genes of Malarial Parasites Isolated from Symptomatic Patients in Dogondoutchi, Niger
por: Issa, Ibrahima, et al.
Publicado: (2022)

Ligand Binding and Circular Permutation Modify Residue Interaction Network in DHFR
por: Hu, Zengjian, et al.
Publicado: (2007)

Expression and characterization of mouse prolactin (mPRL) in CHO dhfr- cells
por: Suzuki, Miriam Fussae, et al.
Publicado: (2014)

Increased prevalence of the pfdhfr/phdhps quintuple mutant and rapid emergence of pfdhps resistance mutations at codons 581 and 613 in Kisumu, Kenya
por: Spalding, Maroya D, et al.
Publicado: (2010)

High levels of sulphadoxine-pyrimethamine resistance Pfdhfr-Pfdhps quintuple mutations: a cross sectional survey of six regions in Tanzania
por: Matondo, Sungwa I, et al.
Publicado: (2014)

Polymorphisms in K13, pfcrt, pfmdr1, pfdhfr, and pfdhps in parasites isolated from symptomatic malaria patients in Burkina Faso
por: Somé, Anyirékun Fabrice, et al.
Publicado: (2016)

Ten-year persistence and evolution of Plasmodium falciparum antifolate and anti-sulfonamide resistance markers pfdhfr and pfdhps in three Asian countries
por: Srisutham, Suttipat, et al.
Publicado: (2022)

Structure of the Pf12 and Pf41 heterodimeric complex of Plasmodium falciparum 6-cysteine proteins
por: Dietrich, Melanie H, et al.
Publicado: (2022)

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)

Differences in selective pressure on dhps and dhfr drug resistant mutations in western Kenya
por: McCollum, Andrea M, et al.
Publicado: (2012)

DHFR and MDR1 upregulation is associated with chemoresistance in osteosarcoma stem-like cells
por: Lee, Yu-Hsien, et al.
Publicado: (2017)

Non-antibiotic Small-Molecule Regulation of DHFR-Based Destabilizing Domains In Vivo
por: Peng, Hui, et al.
Publicado: (2019)

Roles Of EAAT1, DHFR, And Fetuin-A In The Pathogenesis, Progression And Prognosis Of Chondrosarcoma
por: He, Lile, et al.
Publicado: (2019)

Hypothesis-Driven, Structure-Based Design in Photopharmacology: The Case of eDHFR Inhibitors
por: Kobauri, Piermichele, et al.
Publicado: (2022)

DHFR Mutants Modulate Their Synchronized Dynamics with the Substrate by Shifting Hydrogen Bond Occupancies
por: Cetin, Ebru, et al.
Publicado: (2022)

Antiviral treatment could not provide clinical benefit in management of mild COVID-19: A Retrospective Experience from Field hospital
por: Aumpan, Natsuda, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_pvmfskgqp3r7n709np11blnt4g