Combined in silico and 19F NMR analysis of 5-fluorouracil metabolism in yeast at low ATP conditions
Sign Up to like & getrecommendations! Published in 2019 at "Bioscience Reports"
DOI: 10.1042/bsr20192847
Abstract: Abstract The cytotoxic effect of 5-fluorouracil (5-FU) on yeast cells is thought to be mainly via a misincorporation of fluoropyrimidines into both RNA and DNA, not only DNA damage via inhibition of thymidylate synthase (TYMS)… read more here.
Keywords: fluorouracil; metabolism yeast; atp; combined silico ... See more keywords
Combined in silico strategy for repurposing DrugBank entries towards introducing potential antiSARS-CoV-2 drugs.
Sign Up to like & getrecommendations! Published in 2023 at "Canadian journal of physiology and pharmacology"
DOI: 10.1139/cjpp-2022-0309
Abstract: The emergence of SARS-CoV-2 from China in December 2019 led to the COVID-19 pandemic, which has affected tens of millions of humans worldwide. Various in silico research via bio-cheminformatics methods was performed to examine the… read more here.
Keywords: approved drugs; cov drugs; strategy; combined silico ... See more keywords
Identification of Novel Dopamine D2 Receptor Ligands—A Combined In Silico/In Vitro Approach
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27144435
Abstract: Diseases of the central nervous system are an alarming global problem showing an increasing prevalence. Dopamine receptor D2 (D2R) has been shown to be involved in central nervous system diseases. While different D2R-targeting drugs have… read more here.
Keywords: dopamine receptor; d2r; combined silico; silico vitro ... See more keywords
Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin
Sign Up to like & getrecommendations! Published in 2022 at "Plants"
DOI: 10.3390/plants11131678
Abstract: The results of the computational and the physicochemical studies of the encapsulation of resveratrol with β-cyclodextrin are presented here. At first, the molecular docking experiments predicted good binding. Several MD simulations and MM-PBSA experiments confirmed… read more here.
Keywords: inclusion complex; resveratrol; silico experimental; combined silico ... See more keywords