PMC:7755033 / 106219-107246 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"2020","span":{"begin":722,"end":724},"obj":"Species"},{"id":"2021","span":{"begin":449,"end":457},"obj":"Chemical"},{"id":"2022","span":{"begin":785,"end":795},"obj":"Chemical"},{"id":"2023","span":{"begin":800,"end":810},"obj":"Chemical"}],"attributes":[{"id":"A2020","pred":"tao:has_database_id","subj":"2020","obj":"Tax:126910"},{"id":"A2021","pred":"tao:has_database_id","subj":"2021","obj":"MESH:D006859"},{"id":"A2022","pred":"tao:has_database_id","subj":"2022","obj":"MESH:D000069449"},{"id":"A2023","pred":"tao:has_database_id","subj":"2023","obj":"MESH:C557213"}],"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_"}],"text":"Generally, an orally active drug candidate cannot have more than one violation of Lipinski’s criteria otherwise it might compromise its bioavailability. Good drug candidates with MW \u003c 500 can be administered easily and are readily diffusible and absorbed. For optimal biological activity, the number of rotatable bonds should be \u003c10, indicating a higher amount of molecular stability. Similarly, total polar surface area (TPSA) should coincide with hydrogen bonding of a molecule and characterize the delivery properties of the drug which should be \u003c160 Å2. For a high oral bioavailability, the absorption rate determined from TPSA should be \u003e50% (Balakrishnan et al., 2014). Interestingly, none of the phytocomponents of WS exhibited Lipinski’s violation, however, the standard drugs cinacalcet and poziotinib displayed 1 violation of Lipinski’s rule of five (Table 2). In addition, the selected phytoconstituents exhibited no violations of Veber, Egan and Muegge filters thereby indicating their druglike character (Table 3)."}

{"project":"LitCovid-sentences","denotations":[{"id":"T1087","span":{"begin":0,"end":152},"obj":"Sentence"},{"id":"T1088","span":{"begin":153,"end":255},"obj":"Sentence"},{"id":"T1089","span":{"begin":256,"end":384},"obj":"Sentence"},{"id":"T1090","span":{"begin":385,"end":557},"obj":"Sentence"},{"id":"T1091","span":{"begin":558,"end":675},"obj":"Sentence"},{"id":"T1092","span":{"begin":676,"end":870},"obj":"Sentence"},{"id":"T1093","span":{"begin":871,"end":1027},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Generally, an orally active drug candidate cannot have more than one violation of Lipinski’s criteria otherwise it might compromise its bioavailability. Good drug candidates with MW \u003c 500 can be administered easily and are readily diffusible and absorbed. For optimal biological activity, the number of rotatable bonds should be \u003c10, indicating a higher amount of molecular stability. Similarly, total polar surface area (TPSA) should coincide with hydrogen bonding of a molecule and characterize the delivery properties of the drug which should be \u003c160 Å2. For a high oral bioavailability, the absorption rate determined from TPSA should be \u003e50% (Balakrishnan et al., 2014). Interestingly, none of the phytocomponents of WS exhibited Lipinski’s violation, however, the standard drugs cinacalcet and poziotinib displayed 1 violation of Lipinski’s rule of five (Table 2). In addition, the selected phytoconstituents exhibited no violations of Veber, Egan and Muegge filters thereby indicating their druglike character (Table 3)."}