Cargando…

A Comparative QSAR Analysis, Molecular Docking and PLIF Studies of Some N-arylphenyl-2, 2-Dichloroacetamide Analogues as Anticancer Agents

Dichloroacetate (DCA) is a simple and small anticancer drug that arouses the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4). DCA can selectively promote mitochondria-regulated apoptosis, depolarizing the hyperpolarized inn...

Descripción completa

Detalles Bibliográficos
Autores principales:	Fereidoonnezhad, Masood, Faghih, Zeinab, Mojaddami, Ayyub, Rezaei, Zahra, Sakhteman, Amirhossein
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Shaheed Beheshti University of Medical Sciences 2017
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5610753/ https://www.ncbi.nlm.nih.gov/pubmed/29535790

Ejemplares similares

Design, synthesis and evaluation of novel 1,2,4-triazole derivatives as promising anticancer agents
por: Emami, Leila, et al.
Publicado: (2022)

Binding mode of triazole derivatives as aromatase inhibitors based on docking, protein ligand interaction fingerprinting, and molecular dynamics simulation studies
por: Mojaddami, Ayyub, et al.
Publicado: (2017)

Quinazoline analogues as cytotoxic agents; QSAR, docking, and in silico studies
por: Emami, Leila, et al.
Publicado: (2021)

Multitarget Drug Design, Molecular Docking and PLIF Studies of Novel Tacrine−Coumarin Hybrids for the Treatment of Alzheimer’s Disease
por: Fereidoonnezhad, Masood, et al.
Publicado: (2018)

3-Hydroxypyrimidine-2, 4-dione Derivatives as HIV Reverse Transcriptase-Associated RNase H Inhibitors: QSAR Analysis and Molecular Docking Studies
por: Mostoufi, Azar, et al.
Publicado: (2020)

Synthesis, Molecular Docking and Cytotoxic Activity Evaluation of Organometallic Thiolated Gold(I) Complexes
por: Faghih, Zeinab, et al.
Publicado: (2020)

Acid- and Base-Mediated Hydrolysis of Dichloroacetamide Herbicide Safeners
por: McFadden, Monica E., et al.
Publicado: (2021)

Microbial Biotransformation Products and Pathways of Dichloroacetamide Herbicide Safeners
por: McFadden, Monica E., et al.
Publicado: (2022)

Synthesis and Cytotoxicity of Novel 10-Substituted Dihydroartemisinin Derivatives Containing N-Arylphenyl-ethenesulfonamide Groups
por: Liu, Yajing, et al.
Publicado: (2013)

Tetracycline antibiotics as precursors of dichloroacetamide and other disinfection byproducts during chlorination and chloramination
por: Ye, Zhao-Xi, et al.
Publicado: (2021)

A quantitative structure-activity relationship (QSAR) study of some diaryl urea derivatives of B-RAF inhibitors
por: Sadeghian-Rizi, Sedighe, et al.
Publicado: (2016)

3D-QSAR, docking and ADMET properties of aurone analogues as antimalarial agents
por: Hadni, Hanine, et al.
Publicado: (2020)

Cytotoxic Evaluation, Molecular Docking, and 2D-QSAR Studies of Dihydropyrimidinone Derivatives as Potential Anticancer Agents
por: Altaf, Reem, et al.
Publicado: (2022)

3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity
por: Mirzaei, Salimeh, et al.
Publicado: (2021)

2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method
por: Kasmi, Rania, et al.
Publicado: (2020)

Corrigendum to “3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity”
por: Mirzaei, Salimeh, et al.
Publicado: (2022)

QSAR and Molecular Docking Studies of the Inhibitory Activity of Novel Heterocyclic GABA Analogues over GABA-AT
por: Rodríguez-Lozada, Josué, et al.
Publicado: (2018)

Comparison of the results of open PLIF versus UBE PLIF in lumbar spinal stenosis: postoperative adjacent segment instability is lesser in UBE
por: Li, Xiaobin, et al.
Publicado: (2023)

QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα
por: Alam, Sarfaraz, et al.
Publicado: (2014)

Docking Based 3D-QSAR Study of Tricyclic Guanidine Analogues of Batzelladine K As Anti-Malarial Agents
por: Ahmed, Nafees, et al.
Publicado: (2017)

QSAR Modeling, Molecular Docking and Cytotoxic Evaluation for Novel Oxidovanadium(IV) Complexes as Colon Anticancer Agents
por: Alomari, Fatimah Y., et al.
Publicado: (2022)

De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations
por: Arshia, Amir Hossein, et al.
Publicado: (2021)

PyPLIF HIPPOS and Receptor Ensemble Docking Increase the Prediction Accuracy of the Structure-Based Virtual Screening Protocol Targeting Acetylcholinesterase
por: Istyastono, Enade P., et al.
Publicado: (2022)

PyPLIF: Python-based Protein-Ligand Interaction Fingerprinting
por: Radifar, Muhammad, et al.
Publicado: (2013)

Factors associated with patient satisfaction for PLIF: Patient satisfaction analysis
por: Okuda, Shinya, et al.
Publicado: (2017)

Comparison of PLIF and TLIF in the Treatment of LDH Complicated with Spinal Stenosis
por: Fang, Xinbo, et al.
Publicado: (2022)

2D, 3D-QSAR and docking studies of 1,2,3-thiadiazole thioacetanilides analogues as potent HIV-1 non-nucleoside reverse transcriptase inhibitors
por: Jain, Shailesh V, et al.
Publicado: (2012)

QSAR modeling and docking analysis of D2 receptor with known olanzapine derivatives
por: Bhargava, Kiran, et al.
Publicado: (2020)

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues
por: Mary, Y. Shyma, et al.
Publicado: (2019)

3D-QSAR, Docking, ADME/Tox studies on Flavone analogs reveal anticancer activity through Tankyrase inhibition
por: Alam, Sarfaraz, et al.
Publicado: (2019)

Dataset on the DFT-QSAR, and docking approaches for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against human esophageal carcinoma (EC-109)
por: Adegoke, Rhoda Oyeladun, et al.
Publicado: (2020)

Effect of PLIF and TLIF on sagittal spinopelvic balance of patients with degenerative spondylolisthesis
por: Uysal, Mustafa, et al.
Publicado: (2018)

Anti-Toxoplasma gondii activity of 5-oxo-hexahydroquinoline derivatives: synthesis, in vitro and in vivo evaluations, and molecular docking analysis
por: Zahedi, Mohammadsaeid, et al.
Publicado: (2020)

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs
por: Shiri, Fereshteh, et al.
Publicado: (2016)

Docking and QSAR of Aminothioureas at the SARS-CoV-2 S-Protein–Human ACE2 Receptor Interface
por: Płonka, Wojciech, et al.
Publicado: (2020)

In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening
por: Ghaleb, Adib, et al.
Publicado: (2019)

Molecular docking analysis of curcumin analogues with COX-2
por: Sohilait, Mario Rowan, et al.
Publicado: (2017)

Lumbar degenerative spinal deformity: Surgical options of PLIF, TLIF and MI-TLIF
por: Hey, Hwee Weng Dennis, et al.
Publicado: (2010)

PyPLIF HIPPOS-Assisted Prediction of Molecular Determinants of Ligand Binding to Receptors
por: Istyastono, Enade P., et al.
Publicado: (2021)

In silico studies of a novel scaffold of benzoxazole derivatives as anticancer agents by 3D-QSAR, molecular docking and molecular dynamics simulations
por: Jiang, Yuhan, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_d0fu803kj3558gb3uoe4hlb7oc