PMC:7544943 / 20035-21082
Annnotations
{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7544943","sourcedb":"PMC","sourceid":"7544943","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7544943","text":"The drug solubility property of the proposed small molecules was obtained from the SwissADME. The server used three solubility models, such as Ali (Ali et al., 2012), ESOL (Delaney, 2004) and Silicos-IT (http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/filter-it/1.0.2/filter-it.html, 2016) that is comprised of different topological methods to check the water solubility of these small molecules. The plot for solubility of the proposed small molecules based on these three different models is shown in Figure 2. The Log S values obtained for the ligand molecules based on these three models are in the range of −1.8 to −3.94 for ESOL method, −1.68 to −4.99 for Ali method and −1.48 to −5.52 for Silicos-IT method. The values from different models suggest to the moderately soluble to very soluble nature of the molecules. The reference values of Log S for moderately soluble and highly soluble molecules range from −4 to −6 and −2 to −4, respectively. The solubility values suggest for the oral administration of these molecules.","tracks":[{"project":"LitCovid-PubTator","denotations":[{"id":"296","span":{"begin":371,"end":376},"obj":"Chemical"},{"id":"297","span":{"begin":647,"end":651},"obj":"Chemical"}],"attributes":[{"id":"A296","pred":"tao:has_database_id","subj":"296","obj":"MESH:D014867"},{"subj":"296","pred":"source","obj":"LitCovid-PubTator"},{"subj":"297","pred":"source","obj":"LitCovid-PubTator"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T182","span":{"begin":0,"end":93},"obj":"Sentence"},{"id":"T183","span":{"begin":94,"end":413},"obj":"Sentence"},{"id":"T184","span":{"begin":414,"end":529},"obj":"Sentence"},{"id":"T185","span":{"begin":530,"end":731},"obj":"Sentence"},{"id":"T186","span":{"begin":732,"end":839},"obj":"Sentence"},{"id":"T187","span":{"begin":840,"end":969},"obj":"Sentence"},{"id":"T188","span":{"begin":970,"end":1047},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T182","pred":"source","obj":"LitCovid-sentences"},{"subj":"T183","pred":"source","obj":"LitCovid-sentences"},{"subj":"T184","pred":"source","obj":"LitCovid-sentences"},{"subj":"T185","pred":"source","obj":"LitCovid-sentences"},{"subj":"T186","pred":"source","obj":"LitCovid-sentences"},{"subj":"T187","pred":"source","obj":"LitCovid-sentences"},{"subj":"T188","pred":"source","obj":"LitCovid-sentences"}]},{"project":"2_test","denotations":[{"id":"32938313-22196228-56197392","span":{"begin":160,"end":164},"obj":"22196228"},{"id":"32938313-15154768-56197393","span":{"begin":182,"end":186},"obj":"15154768"}],"attributes":[{"subj":"32938313-22196228-56197392","pred":"source","obj":"2_test"},{"subj":"32938313-15154768-56197393","pred":"source","obj":"2_test"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PubTator","color":"#93b2ec","default":true},{"id":"LitCovid-sentences","color":"#ccec93"},{"id":"2_test","color":"#ec93e6"}]}]}}