Cargando…

QSAR, molecular docking, design, and pharmacokinetic analysis of 2-(4-fluorophenyl) imidazol-5-ones as anti-breast cancer drug compounds against MCF-7 cell line

The anti-proliferative activities of Novel series of 2-(4-fluorophenyl) imidazol-5-ones against MCF-7 breast cancer cell line were explored via in-slico studies which includes Quantitative structure–activity relationship QSAR, molecular docking studies, designing new compounds, and analyzing the pha...

Descripción completa

Detalles Bibliográficos
Autores principales:	Lawal, Hadiza Abdulrahman, Uzairu, Adamu, Uba, Sani
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer US 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7704527/ https://www.ncbi.nlm.nih.gov/pubmed/33247393 http://dx.doi.org/10.1007/s10863-020-09858-0

Ejemplares similares

QSAR modelling and molecular docking studies for anti-cancer compounds against melanoma cell line SK-MEL-2
por: Umar, Abdullahi Bello, et al.
Publicado: (2020)

QSAR Modeling and Molecular Docking Analysis of Some Active Compounds against Mycobacterium tuberculosis Receptor (Mtb CYP121)
por: Adeniji, Shola Elijah, et al.
Publicado: (2018)

Pharmacokinetic profiling of quinazoline-4(3H)-one analogs as EGFR inhibitors: 3D-QSAR modeling, molecular docking studies and the design of therapeutic agents
por: Abdullahi, Sagiru Hamza, et al.
Publicado: (2023)

QSAR analysis and molecular docking simulation of norepinephrine transporter (NET) inhibitors as anti-psychotic therapeutic agents
por: Olasupo, Sabitu Babatunde, et al.
Publicado: (2019)

A Derived QSAR Model for Predicting Some Compounds as Potent Antagonist against Mycobacterium tuberculosis: A Theoretical Approach
por: Adeniji, Shola Elijah, et al.
Publicado: (2019)

QSAR and molecular docking studies of 1,3-dioxoisoindoline-4-aminoquinolines as potent antiplasmodium hybrid compounds
por: Mahmud, Aliyu Wappah, et al.
Publicado: (2020)

Quantitative structure-activity relationship and molecular docking studies of a series of quinazolinonyl analogues as inhibitors of gamma amino butyric acid aminotransferase
por: Abdulfatai, Usman, et al.
Publicado: (2017)

In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as Anti-proliferative agents
por: Ibrahim, Muhammad Tukur, et al.
Publicado: (2020)

In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions
por: Abdullahi, Mustapha, et al.
Publicado: (2022)

Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents
por: Isyaku, Yusuf, et al.
Publicado: (2020)

Application of QSAR Method in the Design of Enhanced Antimalarial Derivatives of Azetidine-2-carbonitriles, their Molecular Docking, Drug-likeness, and SwissADME Properties
por: Ibrahim, Zakari Ya’u, et al.
Publicado: (2021)

2D-QSAR, molecular docking, drug-likeness, and ADMET/pharmacokinetic predictions of some non-small cell lung cancer therapeutic agents
por: Ibrahim, M.T., et al.
Publicado: (2022)

Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions
por: Abdullahi, Mustapha, et al.
Publicado: (2022)

Molecular design of antioxidant lubricating oil additives via QSPR and analysis dynamic simulation method
por: Abdulfatai, Usman, et al.
Publicado: (2019)

QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate
por: Edache, Emmanuel Israel, et al.
Publicado: (2022)

New flavone-based arylamides as potential V600E-BRAF inhibitors: Molecular docking, DFT, and pharmacokinetic properties
por: Umar, Abdullahi B., et al.
Publicado: (2023)

Chemoinformatic studies on some inhibitors of dopamine transporter and the receptor targeting schizophrenia for developing novel antipsychotic agents
por: Olasupo, Sabitu Babatunde, et al.
Publicado: (2020)

Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors
por: Ibrahim, Muhammad Tukur, et al.
Publicado: (2020)

Virtual screening, pharmacokinetic, and DFT studies of anticancer compounds as potential V600E-BRAF kinaseinhibitors
por: Umar, Abdullahi B., et al.
Publicado: (2023)

Obstructing Salmonella typhi's virulence in eukaryotic cells through design of its SipB protein antagonists
por: Ameji, John P., et al.
Publicado: (2022)

In silico design and molecular docking study of CDK2 inhibitors with potent cytotoxic activity against HCT116 colorectal cancer cell line
por: Ikwu, Fabian Adakole, et al.
Publicado: (2020)

Theoretical design of novel antimalarial agents against P. falciparum strain, Dd(2) through the QSAR modeling of synthesized 2′-substituted triclosan derivatives
por: Ibrahim, Zakari Ya'u, et al.
Publicado: (2020)

Modeling the Antileukemia Activity of Ellipticine-Related Compounds: QSAR and Molecular Docking Study
por: Márquez, Edgar, et al.
Publicado: (2019)

A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity
por: Vieira, Josinete B., et al.
Publicado: (2014)

Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease
por: Edache, Emmanuel Israel, et al.
Publicado: (2023)

Design and Screening of New Lead Compounds for Autism Based on QSAR Model and Molecular Docking Studies
por: Chen, Yongjian, et al.
Publicado: (2022)

Genotoxic effects of some l-[(benzofuran-2-yl)-phenylmethyl]-imidazoles on MCF-7 cell line
por: Etebari, M., et al.
Publicado: (2012)

QSAR workbench: automating QSAR modeling to drive compound design
por: Cox, Richard, et al.
Publicado: (2013)

Theoretical QSAR modelling and molecular docking studies of some 4-hydroxyphenylpyruvate dioxygenase (HPPD) enzyme inhibitors potentially used as herbicides
por: Tukur, Saidu, et al.
Publicado: (2019)

Homology modeling, docking, and ADMET studies of benzoheterocyclic 4-aminoquinolines analogs as inhibitors of Plasmodiumfalciparum
por: Ibrahim, Zakari Y., et al.
Publicado: (2023)

Combined 3D-QSAR and Docking Modelling Study on Indolocarbazole Series Compounds as Tie-2 Inhibitors
por: Tian, Yuanxin, et al.
Publicado: (2011)

Virtual screening and molecular dynamic simulations of the antimalarial derivatives of 2-anilino 4-amino substituted quinazolines docked against a Pf-DHODH protein target
por: Ibrahim, Zakari Ya’u, et al.
Publicado: (2022)

3D-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7
por: Alam, Sarfaraz, et al.
Publicado: (2017)

1-(4-Fluorophenyl)-2-(1H-imidazol-1-yl)ethanol
por: Liu, Dong-liang, et al.
Publicado: (2011)

1-(4-Fluorophenyl)-2-(1H-imidazol-1-yl)ethanone
por: Liu, Dong-liang, et al.
Publicado: (2011)

2-(4-Fluorophenyl)-1,4,5-triphenyl-1H-imidazole
por: Gayathri, P., et al.
Publicado: (2010)

4-[5-(4-Fluorophenyl)-1H-imidazol-4-yl]pyridine
por: Koch, Pierre, et al.
Publicado: (2009)

Modelling PIP4K2A inhibitory activity of 1,7-naphthyridine analogues using machine learning and molecular docking studies
por: Ibrahim, Muktar Musa, et al.
Publicado: (2023)

Exploring the inhibitory mechanisms of indazole compounds against SAH/MTAN-mediated quorum sensing utilizing QSAR and docking
por: Nandi, Sisir, et al.
Publicado: (2022)

3D- and 2D-QSAR models’ study and molecular docking of novel nitrogen-mustard compounds for osteosarcoma
por: Zhuo, Wenkun, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_ilcrsd19tm33jtl3odl2n5fqjd