Results 41 to 50 of about 256,731 (319)

Evaluation and molecular modelling of bis-Schiff base derivatives as potential leads for management of diabetes mellitus

Acta Pharmaceutica, 2022
Developing a medication to cure and manage diabetes mellitus complications is of interest in medicinal chemistry. Toward this end, six bis-biphenyl-salicylaldehyde Schiff base derivatives have been evaluated for their α-glucosidase inhibition ...
Daoud Safa, Thiab Samar, Jazzazi Taghreed M. A., Al-Shboul Tareq M. A., Ullah Saeed   +4 more
doaj   +1 more source

Synthesis, Identification, Computer-Aided Docking Studies, and ADMET Prediction of Novel Benzimidazo-1,2,3-triazole Based Molecules as Potential Antimicrobial Agents

Molecules, 2021
2-azido-1H-benzo[d]imidazole derivatives 1a,b were reacted with a β-ketoester such as acetylacetone in the presence of sodium ethoxide to obtain the desired molecules 2a,b. The latter acted as a key molecule for the synthesis of new carbazone derivatives
Huda R. M. Rashdan, Aboubakr H. Abdelmonsef, Mortaga M. Abou-Krisha, Tarek A. Yousef   +3 more
doaj   +1 more source

The ubiquitin‐proteasome system and autophagy as guardians of the cellular proteome

FEBS Letters, EarlyView.
This Perspective covers the three principles governing the crosstalk between the ubiquitin‐proteasome system and autophagy in cellular proteostasis: (1) a shared ubiquitin code routing substrates via shuttle factors or autophagy receptors; (2) spatial compartmentalization into phase‐separated degradation hubs and organelle‐specific modules (exemplified
Ivan Dikic
wiley   +1 more source

In silico drug-likeness /ADMET prediction and molecular docking studies on key chemical constituents of Crataegus Azarolus L. for preventing cardiovascular disease [PDF]

Journal of Basic Research in Medical Sciences, 2023
Introduction: Elevated plasma LDL cholesterol levels play a crucial role in cardiovascular disease development. Squalene synthase (SQS), a regulatory enzyme in cholesterol biosynthesis, is a target for controlling hypercholesterolemia.
Azizeh Asadzadeh, Azam Moshfegh, Fatemeh Shams Moattar   +2 more
doaj  

An unexpected alternative viologen electron mediator site in tungsten‐containing formate dehydrogenase

FEBS Letters, EarlyView.
An unexpected alternative interaction site for ethyl viologen was identified in formate dehydrogenase 1 from Methylorubrum extorquens. Combined mutagenesis, kinetic analysis, and docking revealed that aromatic residues near an iron–sulfur cluster enable flavin mononucleotide‐independent electron transfer, offering a framework for engineering improved ...
Eleni G. Poloniataki, Yong Hwan Kim
wiley   +1 more source

Graphics processing unit accelerated coarse-grained protein-protein docking [PDF]

, 2011
Includes abstract.Includes bibliographical references (leaves [187]-202).In this work, we describe a Graphics processing unit (GPU) implementation of the Kim-Hummer coarse-grained model for protein docking simulations, using a Replica Exchange Monte ...
Tunbridge, Dr Ian, Tunbridge, Ian William   +1 more
core  

In Vitro Screening of Antimicrobial and Anti-Coagulant Activities, ADME Profiling, and Molecular Docking Study of Citrus limon L. and Citrus paradisi L. Cold-Pressed Volatile Oils

Pharmaceuticals, 2023
Citrus, which belongs to the Rutaceae family, is a very widespread genus in the Mediterranean Basin. In Tunisia, various parts of these spontaneous or cultivated plants are used in common dishes or in traditional medicine. The purpose of this work was to
Assia Hamdi, Mabrouk Horchani, Hichem Ben Jannet, Mejdi Snoussi, Emira Noumi, Nouha Bouali, Adel Kadri, Flavio Polito, Vincenzo De Feo, Hayet Edziri   +9 more
doaj   +1 more source

Electron transfer between complexes III and IV in S. cerevisiae mitochondrial membranes

FEBS Letters, EarlyView.
Mitochondrial oxidative phosphorylation in S. cerevisiae mitoplasts is limited by complex IV catalytic capacity, rather than two‐dimensional cytochrome c diffusion. At physiological cytochrome c : supercomplex ratios at salinity equivalent to that of 20 mm monovalent salt, activity is maximized, indicating that this low ionic strength accurately mimics
Ana Paula Lobez, Mikael Oliveberg, Peter Brzezinski   +2 more
wiley   +1 more source

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, Junho Jeong, Chae Yeong Lee, Hyunjoon Cho, Man Hwan Oh, Je Chul Lee, Jee‐Young Lee, Yangmee Kim   +7 more
wiley   +1 more source

Scoring functions and enrichment : a case study on Hsp90

, 2007
This work was funded by the EPSRC, InsightFaraday (now part of the Chemistry Innovation Knowledge Transfer Network), Arrow Therapeutics Ltd and Unilever plc.Background: The need for fast and accurate scoring functions has been driven by the increased use
Chrysi Konstantinou-Kirtay, Lumley James A, Konstantinou-Kirtay, Chrysi, John BO Mitchell, James A Lumley, Lumley, James A., Mitchell John BO, Mitchell, John Blayney Owen, Konstantinou-Kirtay Chrysi   +8 more
core   +1 more source