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Total 18108 results found since Jan 2013.

Molecules, Vol. 23, Pages 1876: Be Aware of Aggregators in the Search for Potential Human ecto-5 ′-Nucleotidase Inhibitors
Molecules, Vol. 23, Pages 1876: Be Aware of Aggregators in the Search for Potential Human ecto-5′-Nucleotidase Inhibitors Molecules doi: 10.3390/molecules23081876 Authors: Lucas G. Viviani Erika Piccirillo Arquimedes Cheffer Leandro de Rezende Henning Ulrich Ana Maria Carmona-Ribeiro Antonia T.-do Amaral Promiscuous inhibition due to aggregate formation has been recognized as a major concern in drug discovery campaigns. Here, we report some aggregators identified in a virtual screening (VS) protocol to search for inhibitors of human ecto-5′-nucleotidase (ecto-5′-NT/CD73), a...
Source: Molecules - July 27, 2018 Category: Chemistry Authors: Lucas G. Viviani Erika Piccirillo Arquimedes Cheffer Leandro de Rezende Henning Ulrich Ana Maria Carmona-Ribeiro Antonia T.-do Amaral Tags: Article Source Type: research

Molecules, Vol. 24, Pages 446: Novel Approach for the Search for Chemical Scaffolds with Dual Activity with Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor—A Perspective for the Treatment of Neurodegenerative Disorders
homas Balle Neurodegenerative disorders, including Alzheimer’s disease, belong to the group of the most difficult and challenging conditions with very limited treatment options. Attempts to find new drugs in most cases fail at the clinical stage. New tactics to develop better drug candidates to manage these diseases are urgently needed. It is evident that better understanding of the neurodegeneration process is required and targeting multiple receptors may be essential. Herein, we present a novel approach, searching for dual active compounds interacting with acetylcholinesterase (AChE) and the &al...
Source: Molecules - January 27, 2019 Category: Chemistry Authors: Natalia M. Kowal Dinesh C. Indurthi Philip K. Ahring Mary Chebib Elin S. Olafsdottir Thomas Balle Tags: Article Source Type: research

The search for candidate genes associated with natural variation of grain Zn accumulation in barley.
Abstract Combating Hidden Hunger through molecular breeding of nutritionally enriched crops requires a better understanding of micronutrient accumulation. We studied natural variation in grain micronutrient accumulation in barley ( Hordeum vulgare L.) and searched for candidate genes by assessing marker trait associations (MTAs) and by analyzing transcriptional differences between low and high zinc (Zn) accumulating cultivars during grain filling. A collection of 180 barley lines was grown in three different environments. Our results show a pronounced variation in Zn accumulation, which was under strong genotype i...
Source: The Biochemical Journal - June 3, 2019 Category: Biochemistry Authors: Detterbeck A, Nagel M, Rensch S, Weber M, Börner A, Persson DP, Schjoerring JK, Christov V, Clemens S Tags: Biochem J Source Type: research

Parametric optimization of wirecut-electrical discharge machining through cuckoo search algorithm
The objective was formulated considering maximization of MRR with surface roughness as constraint. It was observed that, molybdenum wire outperforms the other two wires, producing higher MRR and lower surface roughness, which proves the efficiency of the simple CS algorithm in optimization.
Source: Materials Today: Proceedings - October 24, 2019 Category: Materials Science Source Type: research

Chemical similarity assisted search for acetylcholinesterase inhibitors: Molecular modeling and evaluation of their neuroprotective properties.
Abstract Alzheimer's disease (AD) is an obstinate and progressive neurodegenerative disorder, mainly characterized by cognitive decline. Increasing number of AD patients and the lack of promising treatment strategies demands novel therapeutic agents to combat various disease pathologies in AD. Recent progresses in understanding molecular mechanisms in AD helped researchers to streamline the various therapeutic approaches. Inhibiting acetylcholinesterase (AChE) activity has emerged as one of the potential treatment strategies. The present study discusses the identification of two potent AChE inhibitors (ZINC1170954...
Source: International Journal of Biological Macromolecules - January 23, 2021 Category: Biochemistry Authors: Remya C, Dileep KV, Variyar EJ, Zhang KYJ, Omkumar RV, Sadasivan C Tags: Int J Biol Macromol Source Type: research

Molecules, Vol. 26, Pages 1549: Receptor-Based Pharmacophore Modeling in the Search for Natural Products for Covid-19 Mpro
reshidi Considering the urgency of the COVID-19 pandemic, we developed a receptor-based pharmacophore model for identifying FDA-approved drugs and hits from natural products. The COVID-19 main protease (Mpro) was selected for the development of the pharmacophore model. The model consisted of a hydrogen bond acceptor, donor, and hydrophobic features. These features demonstrated good corroboration with a previously reported model that was used to validate the present model, showing an RMSD value of 0.32. The virtual screening was carried out using the ZINC database. A set of 208,000 hits was extracted and filtered using ...
Source: Molecules - March 11, 2021 Category: Chemistry Authors: Mohd Saeed Amir Saeed Md. Jahoor Alam Mousa Alreshidi Tags: Article Source Type: research

A search for enhanced photodynamic activity against Staphylococcus aureus planktonic cells and biofilms: the evaluation of phthalocyanine-detonation nanodiamonds-Ag nanoparticle nanoconjugates
Photochem. Photobiol. Sci., 2020, Accepted Manuscript DOI: 10.1039/D0PP00075B, PaperYolande Ikala Openda, Refilwe Matshitse, Tebello Nyokong The present work reports on the synthesis and characterization of novel zinc (2) and indium (3) 2-amino-4-bromophenoxy substituted phthalocyanines (Pcs) along with the self- assembled nanoconjugates formed via π-π stacking... The content of this RSS Feed (c) The Royal Society of Chemistry
Source: RSC - Photochem. Photobiol. Sci. latest articles - September 8, 2020 Category: Chemistry Authors: Yolande Ikala Openda Source Type: research

Nutrition and neurodevelopment: the search for candidate nutrients in the Seychelles Child Development Nutrition Study
Neurotoxicology. 2020 Dec;81:300-306. doi: 10.1016/j.neuro.2020.09.021. Epub 2020 Oct 14.ABSTRACTThis review examines the role of nutrients in child development and outlines the key nutrients identified as potentially important to neurodevelopment among high fish consumers in the Seychelles Child Development Nutrition Study (SCDNS). It describes the clinical assessment of these nutrients in the blood and breast milk samples collected from the cohort of 300 pregnant women who were recruited, at their first antenatal visit, on the SCDNS. These key nutrients include the long chain polyunsaturated fatty acids (LCPUFA), docosoh...
Source: Neurotoxicology - March 20, 2021 Category: Neurology Authors: J J Strain Maxine P Bonham Emeir M Duffy Julie M W Wallace Paula J Robson Thomas W Clarkson Conrad Shamlaye Source Type: research

Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity
CONCLUSION: Dibenz[a,h]acridine, dibenz[a, i]acridine, NSC114903, dibenz[c,h]acridine, benzo[a]acridine and their derivatives might be considered as promising HIV-1 subtype C protease inhibitors. This could be confirmed through synthesis and subsequent in vitro assays.PMID:35114926 | DOI:10.2174/1871520622666220202161543
Source: Medicinal Chemistry - February 4, 2022 Category: Chemistry Authors: Arthur F D Sarron Kevin A Lobb Source Type: research

The Popularity of the Dietary Supplements and Functional Foods in The Coronavirus Pandemic Among The Google Users in the USA, UK, Germany, Italy and France
CONCLUSION: Google Trends can be a beneficial tool for following public interest in identifying outbreak-related misinformation, and scientific studies and statements from authorities and the media play a potential role in driving internet searches.PMID:33601014 | PMC:PMC7883724 | DOI:10.1016/j.ctim.2021.102682
Source: Complementary Therapies in Medicine - February 18, 2021 Category: Complementary Medicine Authors: Elif G ünalan İrem Kaya Cebioğlu Özge Çonak Source Type: research