Docking and 3D QSAR Studies on p38α MAP Kinase Inhibitors

Docking and 3D QSAR Studies on p38α MAP Kinase Inhibitors

The p38 signaling cascade has emerged as an attractive target for the design of novel chemotherapeutic agents for the treatment of inflammatory diseases. Three dimensional quantitative structure- activity relationship (3D- QSAR) studies were performed on a series of 25, 2-ami...

Full description

Bibliographic Details
Main Authors:	Mohan Babu Jatavath, Sree Kanth Sivan, Yamini Lingala, Vijjulatha Manga
Format:	Article
Language:	English
Published:	Hindawi Limited 2011-01-01
Series:	E-Journal of Chemistry
Online Access:	http://dx.doi.org/10.1155/2011/184863

Similar Items

Inhibitors of Human Dihydrofolate Reductase: A Computational Design and Docking Studies Using Glide
by: Lingala Yamini, et al.
Published: (2008-01-01)

Comparative Molecular Field Analysis (CoMFA) for Thiotetrazole Alkynylacetanilides, a Non-Nucleoside Inhibitor of HIV-1 Double Mutant K103N/Y181C Reverse Transcriptase
by: Sivan Sree Kanth, et al.
Published: (2009-01-01)

3D-QSAR and Molecular Docking Studies on Fused Pyrazoles as p38α Mitogen-Activated Protein Kinase Inhibitors
by: Wei-Min Chen, et al.
Published: (2010-09-01)

Computational design of novel cyclic urea as HIV-1 protease inhibitor
by: Vijjulatha Manga, et al.
Published: (2007-12-01)

Computational analysis of ABL kinase mutations allows predicting drug sensitivity against selective kinase inhibitors
by: Swapna Kamasani, et al.
Published: (2017-04-01)

3D QSAR of Pyrrolo Pyrimidine and Thieno Pyrimidines as Human Thymidylate Synthase Inhibitors
by: K. Meena Kumari, et al.
Published: (2012-01-01)

Tetrahydroxy Cyclic Urea-Potent Inhibitor for HIV-1 Protease Wild Type and Mutant Type—A Computational Design
by: S. Sree Kanth, et al.
Published: (2008-01-01)

QSAR study and molecular docking on indirubin inhibitors of Glycogen Synthase Kinase-3
by: Crisan Luminita, et al.
Published: (2013-01-01)

CoMFA and CoMSIA Studies on Inhibitors of HIV-1 Integrase - Bicyclic Pyrimidinones
by: V. Radhika, et al.
Published: (2010-01-01)

3D-QSAR models to predict anti-cancer activity on a series of protein P38 MAP kinase inhibitors
by: El Ghalia Hadaji, et al.
Published: (2017-05-01)

Quantitative structure activity relationship study of p38α MAP kinase inhibitors
by: Eslam Pourbasheer, et al.
Published: (2017-01-01)

Design of Novel Benzimidazole Derivatives as Potential α-amylase Inhibitors by 3D-QSAR Modeling and Molecular Docking Studies
by: Khalil EL KHATABİ, et al.
Published: (2020-06-01)

Docking Study to Predict the Efficacy of Phosphatidylinositol 3-Kinase α Inhibitors
by: Mahmoud A. Chawsheen, et al.
Published: (2019-12-01)

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs
by: Fereshteh Shiri, et al.
Published: (2016-03-01)

Combined 3D-QSAR Modeling and Molecular Docking Studies on Pyrrole-Indolin-2-ones as Aurora A Kinase Inhibitors
by: Fa-Jun Song, et al.
Published: (2011-03-01)

QSAR and docking studies of coumarin derivatives as potent HIV-1 integrase inhibitors
by: V.K. Srivastav, et al.
Published: (2017-02-01)

3D-QSAR and docking studies of arylmethylamine-based DPP IV inhibitors
by: Chaoyi Jiang, et al.
Published: (2012-08-01)

QSAR Studies on Andrographolide Derivatives as α-Glucosidase Inhibitors
by: Shaohui Cai, et al.
Published: (2010-03-01)

DFT-based reactivity and combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors of Pim-1 kinase
by: Halima Hazhazi, et al.
Published: (2019-09-01)

QSAR and molecular docking study on the biological activity of levofloxacin and thiodiazole histone deacetylase inhibitors
by: Zhong Wan, et al.
Published: (2020-01-01)

3D-QSAR Pharmacophore Identification for Tyrosinase Inhibitors using Molecular Docking and Catalyst
by: Yi-Ting Chen, et al.
Published: (2007)

Combined Pharmacophore Modeling, Docking, and 3D-QSAR Studies of PLK1 Inhibitors
by: Tao Lu, et al.
Published: (2011-12-01)

QSAR study and molecular docking of benzimidazole derivatives as potent activators of AMP-activated protein kinase
by: Nidal Naceiri Mrabti, et al.
Published: (2017-01-01)

Insights into features and lead optimization of novel type 1½ inhibitors of p38α mitogen-activated protein kinase using QSAR, quantum mechanics, bioisostere replacement and ADMET studies
by: Ireoluwa Yinka Joel, et al.
Published: (2020-01-01)

In Silico Exploration of Aryl Halides Analogues as CheckpointKinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study,and ADMET Screening
by: Adib Ghaleb, et al.
Published: (2019-02-01)

3D-QSAR and Molecular Docking Studies on Derivatives of MK-0457, GSK1070916 and SNS-314 as Inhibitors against Aurora B Kinase
by: Chunzhi Ai, et al.
Published: (2010-11-01)

Virtual Screening Based on QSAR and Molecular Docking of Possible Inhibitors Targeting Chagas CYP51
by: J. Cotuá, et al.
Published: (2021-01-01)

In-silico design of new enalapril analogs (ACE inhibitors) using QSAR and molecular docking models
by: Jhon Alex Gonzalez Amaya, et al.
Published: (2020-01-01)

Docking based 3D-QSAR studies applied at the BRAF inhibitors to understand the binding mechanism
by: Mahmood Uzma, et al.
Published: (2012-05-01)

Pharmacophore modeling, 3D-QSAR, docking and ADME prediction of quinazoline based EGFR inhibitors
by: Garima Verma, et al.
Published: (2019-12-01)

Development of Dual Inhibitors against Alzheimer’s Disease Using Fragment-Based QSAR and Molecular Docking
by: Manisha Goyal, et al.
Published: (2014-01-01)

Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA.
by: Karel Mena-Ulecia, et al.
Published: (2015-01-01)

QSAR AND MOLECULAR DOCKING BASED DESIGN OF SOME N-BENZYLACETAMIDE AS Γ-AMINOBUTYRATE-AMINOTRANSFERASE INHIBITORS
by: O. Adedirin, et al.
Published: (2018-01-01)

Combined 3D-QSAR and Molecular Docking Analysis of Thienopyrimidine Derivatives as Staphylococcus aureus Inhibitors
by: Mebarka Ouassaf, et al.
Published: (2021-06-01)

Searching for New GSK3α and GSK3β Kinase Inhibitors:Docking Computation and Kinase Assay
by: Hsu, Chia-Jen, et al.
Published: (2015)

Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors
by: Pablo R. Duchowicz
Published: (2018-02-01)

From 2-Alkylsulfanylimidazoles to 2-Alkylimidazoles: An Approach towards Metabolically More Stable p38α MAP Kinase Inhibitors
by: Fabian Heider, et al.
Published: (2017-10-01)

Investigation of the docking interaction between p38α and MKP-1
by: Min-Yu Sun, et al.
Published: (2006)

2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method
by: Rania Kasmi, et al.
Published: (2020-08-01)

Synthesis, anticancer, molecular docking and QSAR studies of benzoylhydrazone
by: Muhammad Taha, et al.
Published: (2019-12-01)