Murine mPGES-1 3D Structure Elucidation and Inhibitors Binding Mode Predictions by Homology Modeling and Site-Directed Mutagenesis

2013 ◽  
Vol 53 (7) ◽  
pp. 1804-1817 ◽  
Author(s):  
Gaia Corso ◽  
Isabella Coletta ◽  
Rosella Ombrato
Keyword(s):  
Homology Modeling ◽  
Structure Elucidation ◽  
3D Structure ◽  
Binding Mode ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis

Site-directed mutagenesis and homology modeling indicate an important role of cysteine 439 in the stability of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa

Biochimie ◽  
2005 ◽  
Vol 87 (12) ◽  
pp. 1056-1064 ◽  
Author(s):  
Lilian González-Segura ◽  
Roberto Velasco-García ◽  
Enrique Rudiño-Piñera ◽  
Carlos Mújica-Jiménez ◽  
Rosario A. Muñoz-Clares
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Homology Modeling ◽  
Aldehyde Dehydrogenase ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Betaine Aldehyde Dehydrogenase ◽  
Betaine Aldehyde ◽  
The Stability

Active site analysis of cis-epoxysuccinate hydrolase from Nocardia tartaricans using homology modeling and site-directed mutagenesis

2011 ◽  
Vol 93 (6) ◽  
pp. 2377-2386 ◽  
Author(s):  
Vinayagam Vasu ◽  
Jayaraman Kumaresan ◽  
Manoharan Ganesh Babu ◽  
Sankaranarayanan Meenakshisundaram
Keyword(s):  
Homology Modeling ◽  
Active Site ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Site Analysis

A common molecular signature unifies the chitosanases belonging to families 46 and 80 of glycoside hydrolases

2000 ◽  
Vol 46 (10) ◽  
pp. 952-955 ◽  
Author(s):  
Hugo Tremblay ◽  
Josée Blanchard ◽  
Ryszard Brzezinski
Keyword(s):  
Amino Acids ◽  
Sequence Similarity ◽  
Glycosyl Hydrolase ◽  
3D Structure ◽  
Glycoside Hydrolases ◽  
Site Directed Mutagenesis ◽  
Molecular Signature ◽  
Directed Mutagenesis ◽  
Protein Motif ◽  
Streptomyces Sp

The 3D structure-oriented alignment of the primary sequences of fourteen chitosanases, mainly of bacterial origin and belonging to families 46 and 80 of glycoside hydrolases, resulted in the identification of the following pattern common to all these enzymes: E-[DNQ]-x(8,17)-Y-x(7)-D-x-[RD]-[GP]-x-[TS]-x(3)-[AIVFLY]-G-x(5,11)-D. This pattern is proposed as the molecular signature of the chitosanases from families 46 and 80. It includes several amino acids essential for enzyme activity and (or) stability as shown by site-directed mutagenesis studies on the chitosanase from Streptomyces sp. N174. In particular, it includes two carboxylic residues directly involved in catalysis. We suggest that there is a continuum of sequence similarity between all the analyzed chitosanases, and that all these enzymes should probably be classified in one family.Key words: chitosanase, glycosyl hydrolase, protein motif.

scholarly journals Discovery of Homobivalent Bitopic Ligands Of The Cannabinoid Cb2 Receptor

2020 ◽  
Author(s):  
Paula Morales ◽  
Gemma Navarro ◽  
Marc Gómez-Autet ◽  
Laura Redondo ◽  
Javier Fernandez-Ruiz ◽  
...  
Keyword(s):  
Molecular Dynamic ◽  
Binding Sites ◽  
Binding Mode ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Cb1 Receptors ◽  
Molecular Dynamic Simulations ◽  
Cb2 Receptor ◽  
Dynamic Simulations ◽  
Single Chemical

<p>Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in medicinal chemistry. We have designed, synthesized and functionally characterized the first bitopic ligands for the CB2 receptor. These compounds selectively target CB2 versus CB1 receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis</p> <p><br></p>

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