Docking-Guided 3D-QSAR Studies of 4-Aminoquinoline-1,3,5-triazines as Inhibitors for <i>Plasmodium falciparum</i> Dihydrofolate Reductase

Código QR

Docking-Guided 3D-QSAR Studies of 4-Aminoquinoline-1,3,5-triazines as Inhibitors for <i>Plasmodium falciparum</i> Dihydrofolate Reductase

Mutations in Plasmodium falciparum dihydrofolate reductase (PfDHFR), together with other mutations, hinder malaria elimination in Southeast Asia due to multiple drug resistance. In this article, molecular docking-guided three-dimensional (3D) quantitative structure-activity relationship (QSAR) analy...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Radite Yogaswara, Maria Ludya Pulung, Sri Hartati Yuliani, Enade Perdana Istyastono
Formato:	article
Lenguaje:	EN
Publicado:	Department of Chemistry, Universitas Gadjah Mada 2020
Materias:	plasmodium falciparum dihydrofolate reductase 3d-qsar molecular docking multiple drug resistance Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/183c4de5d13c4802827cf35dce4b5f74
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Dihydrofolate Reductase Is a Valid Target for Antifungal Development in the Human Pathogen <italic toggle="yes">Candida albicans</italic>
por: Christian DeJarnette, et al.
Publicado: (2020)

Dihydrofolate Reductase Inhibitors: The Pharmacophore as a Guide for Co-Crystal Screening
por: João A. Baptista, et al.
Publicado: (2021)

CRIF1 Deficiency Increased Homocysteine Production by Disrupting Dihydrofolate Reductase Expression in Vascular Endothelial Cells
por: Ikjun Lee, et al.
Publicado: (2021)

INHIBITORY ACTIVITY OF SOME MARINE SPONGE EXTRACTS FROM URABÁ GULF ON DIHYDROFOLATE REDUCTASE ENZYME
por: Diego A. ZABALA, et al.
Publicado: (2009)

SYNTHETIC, SPECTRAL, ANTIMICROBIAL AND QSAR STUDIES ON NOVEL MANNICH BASES OF GLUTARIMIDES
por: DAS MANIKPURI,ANJU, et al.
Publicado: (2010)

Modelado de las Relaciones Cuantitativas Estructura-Actividad (QSAR) de los Derivados 5-(Nitroheteroaril) -1,3,4-tiadiazol con Actividad Leishmanicida
por: Ensuncho,Adolfo E, et al.
Publicado: (2017)

SAR and QSAR in environmental research
Publicado: (1993)

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion
por: Zi-Yi Yang, et al.
Publicado: (2021)

Azole Compounds as Inhibitors of Candida albicans: QSAR Modelling
por: Davood Gheidari, et al.
Publicado: (2021)

Novel Algicides against Bloom-Forming Cyanobacteria from Allelochemicals: Design, Synthesis, Bioassay, and 3D-QSAR Study
por: Yin Luo, et al.
Publicado: (2021)

MODELO QSAR PARA LA PREDICCIÓN DE LOS TIEMPOS DE VIDA MEDIA DE BIFENILOS POLICLORADOS EN HUMANOS QSAR MODEL FOR THE PREDICTION OF THE HALF LIFE OF POLYCHLORINATED BIPHENYLS IN HUMANS
por: Isaura OSPINO M, et al.
Publicado: (2005)

DISEÑO DE FÁRMACOS ANTICANCEROSOS DERIVADOS DE CIS-PLATINO(II) MEDIANTE LA TÉCNICA QSAR, BASADA EN EL FUNCIONAL DE LA DENSIDAD
por: López,Jesús M, et al.
Publicado: (2014)

Synthesis, Antifungal Activity, 3D-QSAR, and Molecular Docking Study of Novel Menthol-Derived 1,2,4-Triazole-thioether Compounds
por: Mei Huang, et al.
Publicado: (2021)

ACTIVIDAD INHIBITORIA SOBRE LA ENZIMA DIHIDROFOLATO REDUCTASA DE EXTRACTOS DE ESPONJAS MARINAS DEL GOLFO DE URABÁ INHIBITORY ACTIVITY OF SOME MARINE SPONGE EXTRACTS FROM URABÁ GULF ON DIHYDROFOLATE REDUCTASE ENZYME
por: Diego A ZABALA, et al.
Publicado: (2008)

Simulation studies, 3D QSAR and molecular docking on a point mutation of protein kinase B with flavonoids targeting ovarian Cancer
por: Suchitra Maheswari Ajjarapu, et al.
Publicado: (2021)

DEVELOPMENT OF N-PHENYL-3-PYRIDIN-2-YL IMINO DERIVATIVES AS ANTICOAGULANTS POTENTIAL FACTOR VIIA INHIBITORS
por: CHOUDHARI,PRAFULLA B, et al.
Publicado: (2013)

QSAR MODEL FOR THE PREDICTION OF THE HALF LIFE OF POLYCHLORINATED BIPHENYLS IN HUMANS
por: Isaura OSPINO M., et al.
Publicado: (2009)

A QSAR–ICE–SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories
por: Jiawei Zhang, et al.
Publicado: (2021)

QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches
por: R.D. Jawarkar, et al.
Publicado: (2022)

Fullerene Derivatives as Lung Cancer Cell Inhibitors: Investigation of Potential Descriptors Using QSAR Approaches
por: Huang HJ, et al.
Publicado: (2020)

Enantioselective three-component aminomethylation of α-diazo ketones with alcohols and 1,3,5-triazines
por: Jiuwei Che, et al.
Publicado: (2020)

Molecular Docking and Fragment-Based QSAR Modeling for In Silico Screening of Approved Drugs and Candidate Compounds Against COVID-19
por: Saeid Afshar, et al.
Publicado: (2020)

Discovery of new TLR7 agonists by a combination of statistical learning-based QSAR, virtual screening, and molecular dynamics
por: Ardavan Abiri, et al.
Publicado: (2021)

Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies
por: Ranjan K. Mohapatra, et al.
Publicado: (2021)

QSAR, pharmacophore modeling and molecular docking studies to identify structural alerts for some nitrogen heterocycles as dual inhibitor of telomerase reverse transcriptase and human telomeric G-quadruplex DNA
por: R. D. Jawarkar, et al.
Publicado: (2021)

Determination of Caffeic Acid in Ethanolic Extract of Spent Coffee Grounds by High-Performance Liquid Chromatography with UV Detection
por: Michael Raharja Gani, et al.
Publicado: (2021)

Computer-Aided Discovery of Pentapeptide AEYTR as a Potent Acetylcholinesterase Inhibitor
por: Enade Perdana Istyastono, et al.
Publicado: (2020)

Molecular Modeling Studies of <i>N</i>-phenylpyrimidine-4-amine Derivatives for Inhibiting FMS-like Tyrosine Kinase-3
por: Suparna Ghosh, et al.
Publicado: (2021)

CORRELATION BETWEEN THE ELECTRONIC STRUCTURE OF QUINAZOLINE DERIVATIVES AND THE ACTIVITY OF THE NTR1 RECEPTOR
por: Soloaga Ardiles,Carlos, et al.
Publicado: (2020)

EVALUATION OF ANTIPARASITIC, ANTITUBERCULOSIS AND ANTIANGIOGENIC ACTIVITIES OF 3-AMINOQUINOLIN-2-ONE DERIVATIVES
por: Muscia,Gisela C, et al.
Publicado: (2006)

Antimalarial Evaluation of the Chemical Constituents Isolated from Dendrocalamus asper
por: Kok Tong WONG, et al.
Publicado: (2021)

QSPR STUDY OF CORROSION INHIBITORS. IMIDAZOLINES
por: VERA,LEONEL, et al.
Publicado: (2006)

Pressure Adaptations in Deep-Sea <i>Moritella</i> Dihydrofolate Reductases: Compressibility versus Stability
por: Ryan W. Penhallurick, et al.
Publicado: (2021)

Development of antibacterial compounds that constrain evolutionary pathways to resistance
por: Yanmin Zhang, et al.
Publicado: (2021)

Design and discovery of novel monastrol-1,3,5-triazines as potent anti-breast cancer agent via attenuating Epidermal Growth Factor Receptor tyrosine kinase
por: Jitendra Kumar Srivastava, et al.
Publicado: (2017)

A THEORETICAL STRUCTURE-AFFINITY RELATIONSHIP STUDY OF SOME CANNABINOID DERIVATIVES
por: GÓMEZ-JERIA,JUAN S, et al.
Publicado: (2008)

A NEW METHOD FOR ONE-POT SYNTHESIS OF ARYLOXYPHENOXYPROPIONATE HERBICIDES USING 2,4,6-TRICHLORO-1,3,5-TRIAZINE AND (n-BU)4NI AS A HOMOGENEOUS CATALYST
por: KALHOR,MEHDI, et al.
Publicado: (2011)

Synthesis, Molecular Docking, and Antimalarial Activity of Hybrid 4-Aminoquinoline-pyrano[2,3-c]pyrazole Derivatives
por: Mohd Asyraf Shamsuddin, et al.
Publicado: (2021)

ACS combinatorial science
Publicado: (2011)

Modelling in Synthesis and Optimization of Active Vaccinal Components
por: Oana-Constantina Margin, et al.
Publicado: (2021)