Cargando…

Conceptual DFT, QTAIM, and Molecular Docking Approaches to Characterize the T-Type Calcium Channel Blocker Anandamide

The anandamide is a relevant ligand due to its capacity of interacting with several proteins, including the T-type calcium channels, which play an important role in neuropathic pain and depression disorders. Hence, a detailed characterization of the chemical properties and conformational stability o...

Descripción completa

Detalles Bibliográficos
Autores principales:	Rangel-Galván, Maricruz, Castro, María Eugenia, Perez-Aguilar, Jose Manuel, Caballero, Norma A., Melendez, Francisco J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9329692/ https://www.ncbi.nlm.nih.gov/pubmed/35910732 http://dx.doi.org/10.3389/fchem.2022.920661

Ejemplares similares

Mannich bases of hydroxycoumarins: synthesis, DFT/QTAIM computational study and assessment of biological activity
por: Durand-Niconoff, J. Sergio, et al.
Publicado: (2021)

Theoretical Study of the Structural Stability, Chemical Reactivity, and Protein Interaction for NMP Compounds as Modulators of the Endocannabinoid System
por: Rangel-Galván, Maricruz, et al.
Publicado: (2022)

T-type calcium channel modulation by hydrogen sulfide in neuropathic pain conditions
por: Rangel-Galván, Maricruz, et al.
Publicado: (2023)

Sulfation of Diethylaminoethyl-Cellulose: QTAIM Topological Analysis and Experimental and DFT Studies of the Properties
por: Kazachenko, Aleksandr, et al.
Publicado: (2021)

Synthesis, spectral analysis, molecular docking and DFT studies of 3-(2, 6-dichlorophenyl)-acrylamide and its dimer through QTAIM approach
por: Shukla, Akhilesh Kumar, et al.
Publicado: (2020)

Molecular docking analysis of calcium channel blockers with ALR2 and RAGE
por: Kazmi, Samreen, et al.
Publicado: (2023)

Substituent effects in hydrogen bonding: DFT and QTAIM studies on acids and carboxylates complexes with formamide
por: Ośmiałowski, Borys
Publicado: (2014)

Antioxidant Properties of Lapachol and Its Derivatives and Their Ability to Chelate Iron (II) Cation: DFT and QTAIM Studies
por: Pajoudoro, Djafarou Ngouh, et al.
Publicado: (2020)

Theoretical Study of 2-(Trifluoromethyl)phenothiazine Derivatives with Two Hydroxyl Groups in the Side Chain-DFT and QTAIM Computations
por: Poła, Andrzej, et al.
Publicado: (2021)

Linear and Nonlinear Optical Responses of Nitrobenzofurazan-Sulfide Derivatives: DFT-QTAIM Investigation on Twisted Intramolecular Charge Transfer
por: Abdelaziz, Balkis, et al.
Publicado: (2023)

An unusual toxicity with beta blocker and calcium channel blocker
por: Anand, Vijay, et al.
Publicado: (2015)

A DFT and QTAIM insight into ethylene oxide adsorption on the surfaces of pure and metal-decorated inorganic fullerene-like nanoclusters
por: Dhali, Palash, et al.
Publicado: (2023)

Role of FAAH-Like Anandamide Transporter in Anandamide Inactivation
por: Leung, KwanNok, et al.
Publicado: (2013)

Pleiotropic Effects of Calcium Channel Blockers
por: Preston Mason, R.
Publicado: (2012)

Calcium channel blockers and Alzheimer's disease★
por: Tan, Yi, et al.
Publicado: (2012)

Discovery and Development of Calcium Channel Blockers
por: Godfraind, Théophile
Publicado: (2017)

A theoretical study of allopurinol drug sensing by carbon and boron nitride nanostructures: DFT, QTAIM, RDG, NBO and PCM insights
por: Miah, Md. Helal, et al.
Publicado: (2021)

Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM
por: Edet, Henry O., et al.
Publicado: (2022)

Calcium-Channel Blockers: An Alternative Therapy to Beta-Blockers for Myocardial Infarction?
por: Hao, Kiyotaka, et al.
Publicado: (2023)

Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide
por: Flores-Holguín, Norma, et al.
Publicado: (2019)

Docking Studies of Phthalimide Pharmacophore as a Sodium Channel Blocker
por: Iman, Maryam, et al.
Publicado: (2013)

Effects of calcium channel blockers on potassium homeostasis.
por: Freed, M. I., et al.
Publicado: (1991)

Treatment of calcium channel blocker overdose with levosimendan
por: Sencan, A, et al.
Publicado: (2011)

Neuroprotective effects of blockers for T-type calcium channels
por: Wildburger, Norelle C, et al.
Publicado: (2009)

Calcium channel blocker overdose: Experience with amlodipine
por: Ghosh, Supradip, et al.
Publicado: (2008)

The role of calcium channel blockers in wound healing
por: Mojiri-Forushani, Hoda
Publicado: (2018)

Calcium Channel Blocker-induced Gingival Overgrowth
por: Matsuura, Hiroki, et al.
Publicado: (2018)

Repurposing calcium channel blockers as antiviral drugs
por: Jayaseelan, Vijayashree Priyadharsini, et al.
Publicado: (2020)

Are calcium channel blockers related to lung cancer?
por: Rattanathanoo, Ratchanon, et al.
Publicado: (2023)

Structural and Antioxidant Properties of Compounds Obtained from Fe(2+) Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
por: Tamafo Fouegue, Aymard Didier, et al.
Publicado: (2016)

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET
por: Flores-Holguín, Norma, et al.
Publicado: (2022)

Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies
por: Gowtham, Hittanahallikoppal Gajendramurthy, et al.
Publicado: (2022)

Effects of Calcium Ion, Calpains, and Calcium Channel Blockers on Retinitis Pigmentosa
por: Nakazawa, Mitsuru
Publicado: (2011)

Direct Anandamide Activation of TRPV1 Produces Divergent Calcium and Current Responses
por: Fenwick, Axel J., et al.
Publicado: (2017)

Calcium channel blockers reduce the antiplatelet effect of clopidogrel
por: Siller-Matula, Jolanta M, et al.
Publicado: (2008)

Prognostic factors of acute calcium-channel blocker poisonings
por: Karyo, S, et al.
Publicado: (2008)

Bio-Inspired Voltage-Dependent Calcium Channel Blockers
por: Yang, Tingting, et al.
Publicado: (2013)

Calcium channel blocker in patients with chronic kidney disease
por: Ohno, Shoko, et al.
Publicado: (2021)

Herbicidal properties of antihypertensive drugs: calcium channel blockers
por: Abdullah, Hannan Safiyyah Tan Sian Hui, et al.
Publicado: (2021)

Effect of Calcium Channel Blockers versus Diuretics for Hypertension
por: Chunxue, Yi, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_6eqioonlpgo49u9gvoq83cmjir