Cargando…

Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies

Serum and glucocorticoid-regulated kinase 1 (SGK1) is a serine/threonine kinase that works under acute transcriptional control by several stimuli, including serum and glucocorticoids. It plays a significant role in the cancer progression and metastasis, as it regulates inflammation, apoptosis, hormo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Mohammad, Taj, Siddiqui, Shiza, Shamsi, Anas, Alajmi, Mohamed F., Hussain, Afzal, Islam, Asimul, Ahmad, Faizan, Hassan, Md. Imtaiyaz
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070812/ https://www.ncbi.nlm.nih.gov/pubmed/32070031 http://dx.doi.org/10.3390/molecules25040823

Ejemplares similares

Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy
por: Shamsi, Anas, et al.
Publicado: (2020)

Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy
por: Mohammad, Taj, et al.
Publicado: (2020)

Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders
por: Shamsi, Anas, et al.
Publicado: (2020)

Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents
por: Gupta, Preeti, et al.
Publicado: (2020)

Multispectroscopic and Molecular Docking Insight into Elucidating the Interaction of Irisin with Rivastigmine Tartrate: A Combinational Therapy Approach to Fight Alzheimer’s Disease
por: Waseem, Rashid, et al.
Publicado: (2021)

Biophysical Elucidation of Fibrillation Inhibition by Sugar Osmolytes in α-Lactalbumin: Multispectroscopic and Molecular Docking Approaches
por: Bashir, Sania, et al.
Publicado: (2020)

MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy
por: Shamsi, Anas, et al.
Publicado: (2020)

Trehalose Restrains the Fibril Load towards α-Lactalbumin Aggregation and Halts Fibrillation in a Concentration-Dependent Manner
por: Bashir, Sania, et al.
Publicado: (2021)

Unraveling Binding Mechanism of Alzheimer’s Drug Rivastigmine Tartrate with Human Transferrin: Molecular Docking and Multi-Spectroscopic Approach towards Neurodegenerative Diseases
por: Shamsi, Anas, et al.
Publicado: (2019)

Biophysical Insights into Implications of PEG-400 on the α-Crystallin Structure: Multispectroscopic and Microscopic Approach
por: Shamsi, Anas, et al.
Publicado: (2020)

Targeting the Sphingosine Kinase/Sphingosine-1-Phosphate Signaling Axis in Drug Discovery for Cancer Therapy
por: Gupta, Preeti, et al.
Publicado: (2021)

Interaction of polyethylene glycol with cytochrome c investigated via in vitro and in silico approaches
por: Parray, Zahoor Ahmad, et al.
Publicado: (2021)

Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition
por: Anwar, Saleha, et al.
Publicado: (2020)

Ellagic Acid Controls Cell Proliferation and Induces Apoptosis in Breast Cancer Cells via Inhibition of Cyclin-Dependent Kinase 6
por: Yousuf, Mohd, et al.
Publicado: (2020)

Structural Analysis and Conformational Dynamics of STN1 Gene Mutations Involved in Coat Plus Syndrome
por: Amir, Mohd., et al.
Publicado: (2019)

MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease
por: Waseem, Rashid, et al.
Publicado: (2021)

Stability of uniformly labeled ((13)C and (15)N) cytochrome c and its L94G mutant
por: Naiyer, Abdullah, et al.
Publicado: (2021)

Identification of Sphingosine Kinase-1 Inhibitors from Bioactive Natural Products Targeting Cancer Therapy
por: Jairajpuri, Deeba Shamim, et al.
Publicado: (2020)

Structural genomics approach to investigate deleterious impact of nsSNPs in conserved telomere maintenance component 1
por: Choudhury, Arunabh, et al.
Publicado: (2021)

Structural Features of Nucleoprotein CST/Shelterin Complex Involved in the Telomere Maintenance and Its Association with Disease Mutations
por: Amir, Mohd., et al.
Publicado: (2020)

Rationalizing the Role of Monosodium Glutamate in the Protein Aggregation Through Biophysical Approaches: Potential Impact on Neurodegeneration
por: Ahanger, Ishfaq Ahmad, et al.
Publicado: (2021)

FNDC5/Irisin: Physiology and Pathophysiology
por: Waseem, Rashid, et al.
Publicado: (2022)

Elucidation of Dietary Polyphenolics as Potential Inhibitor of Microtubule Affinity Regulating Kinase 4: In silico and In vitro Studies
por: Khan, Parvez, et al.
Publicado: (2017)

Inhibiting Cyclin-Dependent Kinase 6 by Taurine: Implications in Anticancer Therapeutics
por: Yousuf, Mohd, et al.
Publicado: (2022)

Molecular interaction studies on ellagic acid for its anticancer potential targeting pyruvate dehydrogenase kinase 3
por: Dahiya, Rashmi, et al.
Publicado: (2019)

Elucidating the Interaction of Human Ferritin with Quercetin and Naringenin: Implication of Natural Products in Neurodegenerative Diseases: Molecular Docking and Dynamics Simulation Insight
por: Shamsi, Anas, et al.
Publicado: (2021)

Potential drug targets of SARS-CoV-2: From genomics to therapeutics
por: Shamsi, Anas, et al.
Publicado: (2021)

Impact of Deleterious Mutations on Structure, Function and Stability of Serum/Glucocorticoid Regulated Kinase 1: A Gene to Diseases Correlation
por: AlAjmi, Mohamed F., et al.
Publicado: (2021)

Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
por: Jairajpuri, Deeba Shamim, et al.
Publicado: (2021)

Structural and functional impact of non-synonymous SNPs in the CST complex subunit TEN1: structural genomics approach
por: Amir, Mohd., et al.
Publicado: (2019)

Cooperative Unfolding of Residual Structure in Heat Denatured Proteins by Urea and Guanidinium Chloride
por: Singh, Ritu, et al.
Publicado: (2015)

Effect of pH on the structure and function of cyclin-dependent kinase 6
por: Yousuf, Mohd, et al.
Publicado: (2022)

Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy
por: Gupta, Preeti, et al.
Publicado: (2019)

Design and Development of Novel Urea, Sulfonyltriurea, and Sulfonamide Derivatives as Potential Inhibitors of Sphingosine Kinase 1
por: Roy, Sonam, et al.
Publicado: (2020)

Comprehensive Insights into Biological Roles of Rosmarinic Acid: Implications in Diabetes, Cancer and Neurodegenerative Diseases
por: Azhar, Md. Khabeer, et al.
Publicado: (2023)

Unraveling the Binding Mechanism of Alzheimer’s Drugs with Irisin: Spectroscopic, Calorimetric, and Computational Approaches
por: Waseem, Rashid, et al.
Publicado: (2022)

Carbohydrate-Based Macromolecular Crowding-Induced Stabilization of Proteins: Towards Understanding the Significance of the Size of the Crowder
por: Shahid, Sumra, et al.
Publicado: (2019)

Discovery of 4-(2-(dimethylamino)ethoxy)benzohydrazide derivatives as prospective microtubule affinity regulating kinase 4 inhibitors
por: Khan, Nashrah Sharif, et al.
Publicado: (2020)

Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach
por: Shafie, Alaa, et al.
Publicado: (2021)

Data on the role of accessible surface area on osmolytes-induced protein stabilization
por: Rahman, Safikur, et al.
Publicado: (2016)

Cannot write session to /tmp/vufind_sessions/sess_125r03viplr6mo898krvmc484d