Cargando…

Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors

The present work describes the design and development of seventeen pyrimidine-clubbed benzimidazole derivatives as potential dihydrofolate reductase (DHFR) inhibitors. These compounds were filtered by using ADMET, drug-likeness characteristics calculations, and molecular docking experiments. Compoun...

Descripción completa

Detalles Bibliográficos
Autores principales:	Haque, M. Akiful, Marathakam, Akash, Rana, Ritesh, Almehmadi, Samar J, Tambe, Vishal B., Charde, Manoj S., Islam, Fahadul, Siddiqui, Falak A., Culletta, Giulia, Almerico, Anna Maria, Tutone, Marco, Khan, Sharuk L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9865878/ https://www.ncbi.nlm.nih.gov/pubmed/36677558 http://dx.doi.org/10.3390/molecules28020501

Ejemplares similares

Novel pyrimidine-benzimidazole hybrids with antibacterial and antifungal properties and potential inhibition of SARS-CoV-2 main protease and spike glycoprotein
por: Khan, Sharuk, et al.
Publicado: (2021)

Fluorescent-Nanoparticle-Impregnated Nanocomposite Polymeric Gels for Biosensing and Drug Delivery Applications
por: Gandla, Kumaraswamy, et al.
Publicado: (2023)

In Silico Design, Synthesis, and Biological Evaluation of Anticancer Arylsulfonamide Endowed with Anti-Telomerase Activity
por: Culletta, Giulia, et al.
Publicado: (2022)

Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods
por: Culletta, Giulia, et al.
Publicado: (2021)

Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics
por: Allegra, Mario, et al.
Publicado: (2021)

Natural polymers as potential P-glycoprotein inhibitors: Pre-ADMET profile and computational analysis as a proof of concept to fight multidrug resistance in cancer
por: Gandla, Kumaraswamy, et al.
Publicado: (2023)

Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome
por: Culletta, Giulia, et al.
Publicado: (2023)

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

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
por: Tutone, Marco, et al.
Publicado: (2021)

Ethosomes: A novel drug carrier
por: Chauhan, Neha, et al.
Publicado: (2022)

Study of the role of “gatekeeper” mutations V654A and T670I of c-kit kinase in the interaction with inhibitors by means mixed molecular dynamics/docking approach
por: Tutone, Marco, et al.
Publicado: (2011)

Investigating the Inhibition of FTSJ1, a Tryptophan tRNA-Specific 2′-O-Methyltransferase by NV TRIDs, as a Mechanism of Readthrough in Nonsense Mutated CFTR
por: Carollo, Pietro Salvatore, et al.
Publicado: (2023)

An Overview of Diabetic Foot Ulcers and Associated Problems with Special Emphasis on Treatments with Antimicrobials
por: Baig, Mirza Shahed, et al.
Publicado: (2022)

Design and Synthesis of New Benzimidazole and Pyrimidine Derivatives as α-glucosidase Inhibitor
por: Mobinikhaledi, Akbar, et al.
Publicado: (2015)

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)

Novel Glu-based pyrazolo[3,4-d]pyrimidine analogues: design, synthesis and biological evaluation as DHFR and TS dual inhibitors
por: Mahnashi, Mater, et al.
Publicado: (2023)

Design, synthesis and antitumor evaluation of novel pyrazolo[3,4-d]pyrimidines incorporating different amino acid conjugates as potential DHFR inhibitors
por: Salem, Ibrahim M., et al.
Publicado: (2022)

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

N-(4,6-Dimethylpyrimidin-2-yl)-1H-benzimidazol-2-amine
por: Mohamed, Shaaban Kamel, et al.
Publicado: (2011)

Synthesis of Pyrimidine- and Quinazoline-Fused Benzimidazole-4,7-diones Using Combinatorial Cyclocondensation and Oxidation
por: Kim, Dong Young, et al.
Publicado: (2018)

Carotenoids: Role in Neurodegenerative Diseases Remediation
por: Gandla, Kumaraswamy, et al.
Publicado: (2023)

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

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

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

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)

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

Theoretical Investigation of the Enantioselective Complexations between pfDHFR and Cycloguanil Derivatives
por: Kulatee, Suriyawut, et al.
Publicado: (2017)

Potential Epha2 Receptor Blockers Involved in Cerebral Malaria from Taraxacum officinale, Tinospora cordifolia, Rosmarinus officinalis and Ocimum basilicum: A Computational Approach
por: Shaikh, Mohd Sayeed, et al.
Publicado: (2022)

Exploring the role of natural bioactive molecules in genitourinary cancers: how far has research progressed?
por: Islam, Fahadul, 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)

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

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

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)

Import of a DHFR hybrid protein into glycosomes in vivo is not inhibited by the folate-analogue aminopterin
Publicado: (1996)

Cannot write session to /tmp/vufind_sessions/sess_hpl5qg0b4k8b7admj0sb7fbn1e