Results 51 to 60 of about 22,492,002 (302)
Structural Analysis of 3,5-Bistrifluoromethylhydrocinnamic Acid
CrystalsThe crystal structure of 3,5-bistrifluoromethylhydrocinnamic acid [systematic name: 3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid], C11H8F6O2, has been determined and described.
Piotr F. J. Lipiński, Krzysztof Łyczko
doaj +1 more source
FEBS Letters, EarlyView.Proteostasis and the gut microbiota play a key role in shaping host physiology. Microbiota‐derived metabolites, vitamins, and RNA modulate host proteostasis. Findings from model systems, including C. elegans, indicate microbes can either stabilize or disrupt host proteostasis.
Abhishek Anil Dubey, Maria Ermolaeva
wiley +1 more source
Simulation Reveals the Environment-dependent Conformational Switching of Macrocycles [PDF]
, 2022 In the future, computer-supported molecular design will be the rule rather than the exception. Conformational analysis is central to design, but is particularly challenging for macrocycles due to noncovalent transannular interactions, steric interactions,
Daniel, Sethio +6 more
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Structural insights and therapeutic targets in Acinetobacter baumannii capsule biosynthesis
FEBS Letters, EarlyView.Hypervirulent KL49 A. baumannii's capsular polysaccharide contains the nonulosonic acid 8‐epi‐Leg5,7Ac2, synthesized by epimerization via ElaA, ElaB, and ElaC. Crystal structures of ElaA, ElaB, and ElaC reveal their role in CMP‐Leg5,7Ac2 synthesis and regioselective C8 epimerization.
Woo Cheol Lee +7 more
wiley +1 more source
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
Química Nova, 2003 Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and ...
Carvalho Ivone +3 more
doaj
On the Absolute Stereochemistry of Tolterodine: A Circular Dichroism Study
Pharmaceuticals, 2019 Tolterodine (1) is a potent muscarinic receptor antagonist used in the treatment of overactive urinary bladder (OAB) syndrome. Tolterodine is chiral and it was patented, and is currently marketed, as the l-tartrate salt of the (R)-enantiomer.
Marcin Górecki +3 more
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Dynamics and energetics of PCBP1 binding to severely oxidized RNA
Frontiers in Molecular Biosciences, 2022 Oxidatively generated lesions such as 8-oxo-7, 8-dihydroguanine (8-oxoG) on RNA strands constitute a hallmark marker of the oxidative stress in the cell.
Natacha Gillet +2 more
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FEBS Letters, EarlyView.The process of internalization of the Shiga toxin A subunit via formation of a complex with the Shiga toxin B subunit, which specifically binds to the Gb3 receptor. The peptide is designed to act as a carrier of drugs into cancer cells. Here, we explored the potential of peptides derived from the catalytic A subunit of Shiga toxin (STxA) to be drug ...
Giulia Opassi +6 more
wiley +1 more source
How does conformational flexibility influence key structural features involved in activation of anaplastic lymphoma kinase? [PDF]
, 2014 Anaplastic Lymphoma Kinase (ALK) plays a major role in developing tumor processes and therefore has emerged as a validated therapeutic target. Applying atomistic molecular dynamics simulations on the wild type enzyme and the nine most frequently ...
Lee, Christian +4 more
core +1 more source