Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer’s disease-Reference-Cited by-同舟云学术

Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer’s disease

Published:2021-02-01 Issue: Volume: Page:1-14
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Iqbal Saleem¹²^ORCID,Potharaju Raju³⁴,Naveen S.⁵,Lokanath N. K.⁶,Mohanakrishnan Arasambattu K.³⁴,Gunasekaran Krishnasamy²^ORCID

Affiliation:

1. Department of Computational and Data Sciences, Indian Institute of Science, Bangalore, India

2. Centre of Advanced Study in Crystallography & Biophysics, University of Madras, Chennai, India

3. Department of Organic Chemistry, University of Madras, Chennai, India

4. Escientia Bio Pharma Private Limited Turkapally, Hyderabad, India

5. Department of Physics, Faculty of Engineering & Technology, JAIN (Deemed-to-be University), Bangalore, India

6. Department of Studies in Physics, University of Mysore, Mysore, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1877197

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4. Microglial p38α MAPK is a key regulator of proinflammatory cytokine up-regulation induced by toll-like receptor (TLR) ligands or beta-amyloid (Aβ)

5. The geometry at nitrogen in N-phenylsulphonyl-pyrroles and -indoles. The geometry of sulphonamides

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