Cargando…

Estrogenic activity of lignin-derivable alternatives to bisphenol A assessed via molecular docking simulations

Lignin-derivable bisphenols are potential alternatives to bisphenol A (BPA), a suspected endocrine disruptor; however, a greater understanding of structure–activity relationships (SARs) associated with such lignin-derivable building blocks is necessary to move replacement efforts forward. This study...

Descripción completa

Detalles Bibliográficos
Autores principales:	Amitrano, Alice, Mahajan, Jignesh S., Korley, LaShanda T. J., Epps, Thomas H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9034231/ https://www.ncbi.nlm.nih.gov/pubmed/35480830 http://dx.doi.org/10.1039/d1ra02170b

Ejemplares similares

Circularity in polymers: addressing performance and sustainability challenges using dynamic covalent chemistries
por: Yan, Tianwei, et al.
Publicado: (2023)

Sustainability of Synthetic Plastics: Considerations in Materials Life-Cycle Management
por: Epps, Thomas H., et al.
Publicado: (2021)

Novel stereoisomeric lignin-derived polycarbonates: towards the creation of bisphenol polycarbonate mimics
por: Wu, Xianyuan, et al.
Publicado: (2023)

Electrospinning of Cellulose Nanocrystal-Reinforced Polyurethane Fibrous Mats
por: Redondo, Alexandre, et al.
Publicado: (2020)

Melt-Spun Nanocomposite Fibers Reinforced with Aligned Tunicate Nanocrystals
por: Redondo, Alexandre, et al.
Publicado: (2019)

Surface Modification of Melt Extruded Poly(ε-caprolactone) Nanofibers: Toward a New Scalable Biomaterial Scaffold
por: Kim, Si-Eun, et al.
Publicado: (2014)

Two Nearly Complete Nosocomial Pathogen Genome Sequences Reconstructed from Early-Middle 20th-Century Dental Calculus
por: Williams, LaShanda, et al.
Publicado: (2020)

Linking lignin source with structural and electrochemical properties of lignin-derived carbon materials
por: Li, Wenqi, et al.
Publicado: (2018)

From liquid to solid-state, solvent-free oxidative ammonolysis of lignins – an easy, alternative approach to generate “N-lignins”
por: Wurzer, Gerhild K., et al.
Publicado: (2023)

Coumarin–carbazole based functionalized pyrazolines: synthesis, characterization, anticancer investigation and molecular docking
por: Patel, Mrugesh, et al.
Publicado: (2021)

Living Additive Manufacturing: Transformation of Parent Gels into Diversely Functionalized Daughter Gels Made Possible by Visible Light Photoredox Catalysis
por: Chen, Mao, et al.
Publicado: (2017)

Modelling, docking and simulation analysis of Bisphenol A interaction with laccase from Trichoderma
por: Ramakrishnan, Sankar Ganesh, et al.
Publicado: (2020)

Docking studies and molecular dynamics simulation of triazole benzene sulfonamide derivatives with human carbonic anhydrase IX inhibition activity
por: P., Gopinath, et al.
Publicado: (2021)

Antiurease screening of alkyl chain-linked thiourea derivatives: in vitro biological activities, molecular docking, and dynamic simulations studies
por: Yaqoob, Sana, et al.
Publicado: (2022)

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)

Examining the Effectiveness of a Case Management Program for Custodial Grandparent Families
por: Campbell, Lenora, et al.
Publicado: (2012)

Ambient-pressure lignin valorization to high-performance polymers by intensified reductive catalytic deconstruction
por: O’Dea, Robert M., et al.
Publicado: (2022)

Exploration of plant-derived natural polyphenols toward COVID-19 main protease inhibitors: DFT, molecular docking approach, and molecular dynamics simulations
por: Ma, Yufei, et al.
Publicado: (2022)

Activating molecular oxygen with Au/CeO(2) for the conversion of lignin model compounds and organosolv lignin
por: Song, Wu-Lin, et al.
Publicado: (2019)

Unravelling the enigma of lignin(OX): can the oxidation of lignin be controlled?
por: Guo, Haiwei, et al.
Publicado: (2017)

Concentration of acrylamide in a polyacrylamide gel affects VP4 gene coding assignment of group A equine rotavirus strains with P[12] specificity
por: Long-Croal, LaShanda M, et al.
Publicado: (2010)

In Vivo Imaging of Activated Estrogen Receptors in Utero by Estrogens and Bisphenol A
por: Lemmen, Josephine G., et al.
Publicado: (2004)

Estrogen receptor independent neurotoxic mechanism of bisphenol A, an environmental estrogen
por: Lee, Yoot Mo, et al.
Publicado: (2007)

Inhibition Potencies of Phytochemicals Derived from Sesame Against SARS-CoV-2 Main Protease: A Molecular Docking and Simulation Study
por: Kumar, Anuj, et al.
Publicado: (2021)

Molecular modeling studies of 1,2,4-triazine derivatives as novel h-DAAO inhibitors by 3D-QSAR, docking and dynamics simulations
por: Qian, Ping Ping, et al.
Publicado: (2018)

3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-b]pyrrole-5-carboxamide derivatives as LSD1 inhibitors
por: Xu, Yongtao, et al.
Publicado: (2020)

Lignin-derived 3D porous graphene on carbon cloth for flexible supercapacitors
por: Sun, Xinzhi, et al.
Publicado: (2021)

Nanostructured thin lignin-derived carbon sheets as excellent reinforcement fillers in polypropylene
por: Chen, Fenggui, et al.
Publicado: (2018)

Efficient O-demethylation of lignin-derived aromatic compounds under moderate conditions
por: Wang, Yueqing, et al.
Publicado: (2023)

Elucidation of microbial lignin degradation pathways using synthetic isotope-labelled lignin
por: Alruwaili, Awatif, et al.
Publicado: (2022)

Bisphenol A derivatives act as novel coactivator-binding inhibitors for estrogen receptor β
por: Iwamoto, Masaki, et al.
Publicado: (2021)

Differential Estrogenic Actions of Endocrine-Disrupting Chemicals Bisphenol A, Bisphenol AF, and Zearalenone through Estrogen Receptor α and β in Vitro
por: Li, Yin, et al.
Publicado: (2012)

Curcumin nanoparticles: physicochemical fabrication, characterization, antioxidant, enzyme inhibition, molecular docking and simulation studies
por: Kanwal, Qudsia, et al.
Publicado: (2023)

Synthesis, bioactivity, and molecular docking of novel arylpiperazine derivatives as potential AR antagonists
por: Qi, Yueheng, et al.
Publicado: (2022)

Effects of Bisphenol A and Its Alternatives, Bisphenol F and Tetramethyl Bisphenol F on Osteoclast Differentiation
por: Kim, Hye-Min, et al.
Publicado: (2021)

Reactivity of Isocyanate-Functionalized Lignins: A Key Factor for the Preparation of Lignin-Based Polyurethanes
por: Zieglowski, Mareike, et al.
Publicado: (2019)

In silico exploration of lignin peroxidase for unraveling the degradation mechanism employing lignin model compounds
por: Singh, Anil Kumar, et al.
Publicado: (2021)

Targeting N-Terminal Human Maltase-Glucoamylase to Unravel Possible Inhibitors Using Molecular Docking, Molecular Dynamics Simulations, and Adaptive Steered Molecular Dynamics Simulations
por: Zhang, Shitao, et al.
Publicado: (2021)

Novel hybrids of thiazolidinedione-1,3,4-oxadiazole derivatives: synthesis, molecular docking, MD simulations, ADMET study, in vitro, and in vivo anti-diabetic assessment
por: Srinivasa, Mahendra Gowdru, et al.
Publicado: (2023)

Choosing the Right Lignin to Fully Replace Bisphenol A in Epoxy Resin Formulation
por: Nikafshar, Saeid, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_nhn9v3151frhsmi4ds4h5qf2qf