Results 21 to 30 of about 555,640 (280)

Auto In Silico Ligand Directing Evolution to Facilitate the Rapid and Efficient Discovery of Drug Lead

iScience, 2020
Summary: Motivated by the growing demand for reducing the chemical optimization burden of H2L, we developed auto in silico ligand directing evolution (AILDE, http://chemyang.ccnu.edu.cn/ccb/server/AILDE), an efficient and general approach for the rapid ...
Fengxu Wu, Linsheng Zhuo, Fan Wang, Wei Huang, Gefei Hao, Guangfu Yang   +5 more
doaj   +1 more source

Design, synthesis and biological evaluation of benzoxazolinone-containing 1,3,4-thiadiazoles as TNF-α inhibitors

Heliyon, 2019
A library of nineteen benzoxazolinone-based 1,3,4-thiadiazoles has been synthesized and screened for their anti-inflammatory activity. The compound 1f exhibited a potent anti-inflammatory activity with an inhibition of 65.83% and 32.50% after 3 h and 5 h
Saqlain Haider, Mohammad Sarwar Alam, Hinna Hamid, Abhijeet Dhulap, Deepak Kumar   +4 more
doaj   +1 more source

Fate of drugs during wastewater treatment [PDF]

, 2013
This is the post-print version of the final paper published in TrAC Trends in Analytical Chemistry. The published article is available from the link below.
Andrási, Bagnall, Baker, Baker, Barceló, Bedding, Bernhard, Brodin, Bruce Petrie, Buisson, Carbonaro, Chen, Chiaia-Hernandez, Chiu, Clara, Coelho, Duan, Elise Cartmell, Ewan J. McAdam, Ferrer, Galus, Gardner, Gaulke, Gomes, Gomes, Gomes, Gong, Grabic, Gracia-Lor, Gros, Gros, Grover, Guibaud, Gunnarsson, Göbel, Hashimoto, Helbling, Hignite, Ho, Hoigne, Huber, Huber, Huntscha, Hörsing, Ifelebuegu, Jelic, John N. Lester, Jones, Jones, Jones, Jones, Joss, Kasprzyk-Hordern, Khunjar, Kim, Kimura, Kosjek, Kreuzinger, Langford, Lishman, López-Serna, López-Serna, Marchese, Mark D. Scrimshaw, Matamoros, Maurer, McAdam, Metcalfe, Nakada, Nakada, Nieto, Ort, Ort, Petrie, Radjenovic, Radjenović, Reungoat, Robertson, Rosal, Samaras, Schaar, Sebők, Shen, Silva, Snyder, Snyder, Sumpter, Ternes, Ternes, Urase, Vader, Wagner, Wu, Wunder, Yang, Zearley, Zhao, Zorita, Zuloaga   +98 more
core   +2 more sources

4‐nitrobenzoate inhibits 4‐hydroxybenzoate polyprenyltransferase in malaria parasites and enhances atovaquone efficacy

FEBS Letters, EarlyView.
Atovaquone is an antimalarial requiring potentiation for sufficient efficacy. We pursued strategies to enhance its activity, showing that 4‐nitrobenzoate inhibits 4‐hydroxybenzoate polyprenyltransferase, decreasing ubiquinone biosynthesis. Since atovaquone competes with ubiquinol in mitochondria, 4‐nitrobenzoate facilitates its action, potentiating ...
Ignasi Bofill Verdaguer, Matheus Felipe Santos, Maurício Mazzine Filho, Gabriela Oliveira Castro, Agustín Hernández, Manoel Aparecido Peres, Alejandro Miguel Katzin, Marcell Crispim   +7 more
wiley   +1 more source

Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis

Heliyon, 2019
An easy and efficient microwave-assisted protocol has been developed for the synthesis of coumarin-purine hybrids (3a-3j). The newly constructed 1,3-dimethyl-7-((substituted)-2-oxo-2H-chromen-4-yl)methyl)-1H-purine-2,6(3H,7H)-dione derivatives were ...
Sumitra N. Mangasuli, Kallappa M. Hosamani, Praveen B. Managutti   +2 more
doaj   +1 more source

Mono- and combinational drug therapies for global viral pandemic preparedness

iScience, 2022
Summary: Broadly effective antiviral therapies must be developed to be ready for clinical trials, which should begin soon after the emergence of new life-threatening viruses.
Aleksandr Ianevski, Rouan Yao, Ronja M. Simonsen, Vegard Myhre, Erlend Ravlo, Gerda D. Kaynova, Eva Zusinaite, Judith M. White, Stephen J. Polyak, Valentyn Oksenych, Marc P. Windisch, Qiuwei Pan, Eglė Lastauskienė, Astra Vitkauskienė, Algimantas Matukevičius, Tanel Tenson, Magnar Bjørås, Denis E. Kainov   +17 more
doaj   +1 more source

The parallel lives of polysaccharides in food and pharmaceutical formulations [PDF]

, 2015
The present opinion article discusses how polysaccharide structures can be used in both food and pharmaceutical formulations. We distinguish two regions depending on moisture content where polysaccharides form structures with distinct functional ...
Kontogiorgos, Vassilis, Morris, G.A., Smith, Alan M.   +2 more
core   +1 more source

The anti‐CRISPR protein AcrIE8.1 inhibits the type I‐E CRISPR‐Cas system by directly binding to the Cascade subunit Cas11

FEBS Letters, EarlyView.
In this study, we present the structure of AcrIE8.1, a previously uncharacterized anti‐CRISPR protein that inhibits the type I‐E CRISPR‐Cas system. Through a combination of structural and biochemical analyses, we demonstrate that AcrIE8.1 directly binds to the Cas11 subunit of the Cascade complex to inhibit the CRISPR‐Cas system.
Young Woo Kang, Hyun Ho Park
wiley   +1 more source

Detailed chemical characterization and molecular modeling of serotonin inclusion complex with unmodified β-cyclodextrin

Heliyon, 2019
In this study, we analyzed the capability of unmodified β-cyclodextrin (β-CD) to form the stable complex with serotonin hydrochloride (SER), as an important neurotransmitter in the brain.
F. Fateminasab, A.K. Bordbar, S. Shityakov   +2 more
doaj   +1 more source

Direct measurement of molecular mobility and crystallisation of amorphous pharmaceuticals using terahertz spectroscopy. [PDF]

, 2016
Despite much effort in the area, no comprehensive understanding of the formation and behaviour of amorphous solids has yet been achieved. This severely limits the industrial application of such materials, including drug delivery where, in principle ...

core   +2 more sources