PMC:7755033 / 14662-15464
Annnotations
{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7755033","sourcedb":"PMC","sourceid":"7755033","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7755033","text":"The present study was carried out at Molecular Chemoinformatics Section, Cell and Tissue Culture Lab, Dept. of Biochemistry, Era’s Lucknow Medical College and Hospital, Era University, Lucknow. The ligands (WS phytoconstituents) selected for the study were first evaluated for their ability to obey Lipinski’s rule of five (Lipinski et al., 1997) using Molinspiration server. Lipinski's rules are used to determine the drug like characteristics of a compound with properties that would make it a potential drug for humans. PubChem database was used to access the 3D structures of the WS phytoconstituents and reference drugs. Prior to docking, energy minimization of ligands was carried out using Merck Molecular Force Field (MMFF94) in order to achieve a better relaxation in the arrangement of atoms.","tracks":[{"project":"LitCovid-PubTator","denotations":[{"id":"323","span":{"begin":515,"end":521},"obj":"Species"},{"id":"324","span":{"begin":207,"end":209},"obj":"Species"},{"id":"325","span":{"begin":584,"end":586},"obj":"Species"}],"attributes":[{"id":"A323","pred":"tao:has_database_id","subj":"323","obj":"Tax:9606"},{"id":"A324","pred":"tao:has_database_id","subj":"324","obj":"Tax:126910"},{"id":"A325","pred":"tao:has_database_id","subj":"325","obj":"Tax:126910"},{"subj":"323","pred":"source","obj":"LitCovid-PubTator"},{"subj":"324","pred":"source","obj":"LitCovid-PubTator"},{"subj":"325","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":"T127","span":{"begin":0,"end":193},"obj":"Sentence"},{"id":"T128","span":{"begin":194,"end":375},"obj":"Sentence"},{"id":"T129","span":{"begin":376,"end":522},"obj":"Sentence"},{"id":"T130","span":{"begin":523,"end":625},"obj":"Sentence"},{"id":"T131","span":{"begin":626,"end":802},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T127","pred":"source","obj":"LitCovid-sentences"},{"subj":"T128","pred":"source","obj":"LitCovid-sentences"},{"subj":"T129","pred":"source","obj":"LitCovid-sentences"},{"subj":"T130","pred":"source","obj":"LitCovid-sentences"},{"subj":"T131","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PubTator","color":"#b5ec93","default":true},{"id":"LitCovid-sentences","color":"#ec93cf"}]}]}}