Cargando…

Insights from the molecular docking and simulation analysis of P38 MAPK phytochemical inhibitor complexes

It is of interest to develop p38α MAPK inhibitors. Docking, ADMET properties calculation, molecular dynamics, and MM-PBSA approaches were used to investigate the therapeutic potentials of p38α MAPK in complex with SB203580 (1A9U). The photo-molecules metergoline, withaphysacarpin, philadelphicalacto...

Descripción completa

Detalles Bibliográficos
Autores principales:	Prasada Rao, Chennu MM, Silakabattini, Kotaiah, Narapusetty, Naidu, Marabathuni, V. Jhansi Priya, Thejomoorthy, Karavadi, Rajeswari, Tanniru, Y, Sabitha
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biomedical Informatics 2023
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10557437/ https://www.ncbi.nlm.nih.gov/pubmed/37808383 http://dx.doi.org/10.6026/97320630019323

Ejemplares similares

Molecular docking and dynamic simulations of benzimidazoles with beta-tubulins
por: Rao, Chennu Maruthi Malya Prasada, et al.
Publicado: (2021)

Molecular docking based screening of G6PS with 1, 5 Benzothiazepine derivates for a potential inhibitor
por: Chennu, Maruthi Malya Prasada Rao, et al.
Publicado: (2015)

Molecular docking based screening of novel designed chalcone series of compounds for their anti-cancer activity targeting EGFR kinase domain
por: Rao, Chennu Maruthi Malya Prasada, et al.
Publicado: (2015)

p38 MAPK in MDS
por: Gañán‐Gómez, Irene, et al.
Publicado: (2015)

The role of atmospheric internal variability on the prediction skill of interannual North Pacific sea-surface temperatures
por: Narapusetty, Balachandrudu
Publicado: (2017)

Reduction in drop size of ophthalmic topical drop preparations and the impact of treatment
por: Kumar, Shiva, et al.
Publicado: (2011)

Molecular dynamics simulation analysis of alpha-cobra toxin docked with phytochemical compounds
por: Alshammari, Ahmed Mohajja, et al.
Publicado: (2022)

PHF5A regulates the expression of the DOCK5 variant to promote HNSCC progression through p38 MAPK activation
por: Liu, Chao, et al.
Publicado: (2023)

p38γ and p38δ Mitogen Activated Protein Kinases (MAPKs), New Stars in the MAPK Galaxy
por: Escós, Alejandra, et al.
Publicado: (2016)

Docking study of HIV-1 reverse transcriptase with phytochemicals
por: Seal, Abhik, et al.
Publicado: (2011)

Molecular docking analysis of phytochemicals with estrogen receptor alpha
por: M Rafeeq, Misbahuddin
Publicado: (2022)

p38 MAPK Signaling in Osteoblast Differentiation
por: Rodríguez-Carballo, Eddie, et al.
Publicado: (2016)

p38 MAPK in cardioprotection – are we there yet?
por: Martin, E D, et al.
Publicado: (2015)

P38 MAPK and Radiotherapy: Foes or Friends?
por: García-Flores, Natalia, et al.
Publicado: (2023)

New Insights into the p38γ and p38δ MAPK Pathways
por: Risco, Ana, et al.
Publicado: (2012)

Identification of small molecule inhibitors against UBE2C by using docking studies
por: Sabitha, Kesavan, et al.
Publicado: (2012)

Molecular modeling and docking of small molecule inhibitors against NEK2
por: Ramachandran, Balaji, et al.
Publicado: (2016)

A simple method for treating ear arteriovenous malformation
por: Shankar, Sumita, et al.
Publicado: (2020)

The Rational Design of Specific Peptide Inhibitor against p38α MAPK at Allosteric-Site: A Therapeutic Modality for HNSCC
por: Gill, Kamaldeep, et al.
Publicado: (2014)

p38 MAPK, microglial signaling, and neuropathic pain
por: Ji, Ru-Rong, et al.
Publicado: (2007)

The Role of p38 MAPK in the Development of Diabetic Cardiomyopathy
por: Wang, Shudong, et al.
Publicado: (2016)

Cancer suppression by systemic inactivation of p38MAPK
por: Brichkina, Anna, et al.
Publicado: (2017)

Involvement of p38 MAPK in Synaptic Function and Dysfunction
por: Falcicchia, Chiara, et al.
Publicado: (2020)

Crosstalk between p38 MAPK and GR Signaling
por: Zeyen, Lisa, et al.
Publicado: (2022)

Structure Based Design, Synthesis, Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Novel Cyclophilin D Inhibitors
por: Valasani, Koteswara Rao, et al.
Publicado: (2014)

Phytochemicals as potential inhibitors for COVID-19 revealed by molecular docking, molecular dynamic simulation and DFT studies
por: Puthanveedu, Vinduja, et al.
Publicado: (2022)

Nuclear Localization of p38 MAPK in Response to DNA Damage
por: Wood, C. David, et al.
Publicado: (2009)

Use of p38 MAPK Inhibitors for the Treatment of Werner Syndrome
por: Bagley, Mark C., et al.
Publicado: (2010)

p38 MAPK Signaling in Pemphigus: Implications for Skin Autoimmunity
por: Mavropoulos, Athanasios, et al.
Publicado: (2013)

The Role of p38 MAPK in the Aetiopathogenesis of Psoriasis and Psoriatic Arthritis
por: Mavropoulos, Athanasios, et al.
Publicado: (2013)

p38 MAPK Signaling in Postnatal Tendon Growth and Remodeling
por: Schwartz, Andrew J., et al.
Publicado: (2015)

A Model for p38MAPK-Induced Astrocyte Senescence
por: Mombach, José C. M., et al.
Publicado: (2015)

Role of p38 MAPK in Atherosclerosis and Aortic Valve Sclerosis
por: Reustle, Anna, et al.
Publicado: (2018)

Syntenin regulates melanogenesis via the p38 MAPK pathway
por: Sun, Lijun, et al.
Publicado: (2020)

TIRAP-mediated activation of p38 MAPK in inflammatory signaling
por: Rajpoot, Sajjan, et al.
Publicado: (2022)

Regulation of the p38-MAPK pathway by hyperosmolarity and by WNK kinases
por: Liu, Zetao, et al.
Publicado: (2022)

Roles of p38 MAPK signalling in intervertebral disc degeneration
por: Shi, Zheng‐wei, et al.
Publicado: (2023)

Identification of Potential Phytochemical Inhibitors From Conium maculatum Targeting the Epidermal Growth Factor Receptor in Metastatic Colorectal Cancer via Molecular Docking Analysis
por: Venkateswaran, Samyuktha, et al.
Publicado: (2023)

Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies
por: Aliebrahimi, Shima, et al.
Publicado: (2017)

Transforming public health using value lens and extended partner networks
por: Tanniru, Mohan R.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_bturs8gs792577roicsa3heqai