PMC:7247521 / 44501-45479 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7247521","sourcedb":"PMC","sourceid":"7247521","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7247521","text":"It is known that ADMETox prediction is an important part in evaluating if a drug can be toxic or can be absorbed during drug development process [39]. In our study, ADMETox evaluation shows that 20 compounds passed the stringent lead-like criteria (250 ≤ MW≤350 \u0026 XLOGP ≤ 3.5 \u0026 Number of rotatable bonds≤7) [40] and in silico drug-likeness test, and showed high gastrointestinal absorption. Moreover, predicted toxicity evaluation showed that the median lethal dose (LD50) of all these ingredients was above 1600 mg/kg, thus may suggesting safety and efficacy of QFPD. Combined with molecular docking results, 4 specific ingredients (M3, S1, X2 and O2) and 5 common ingredients (MS1, MX16, SX1, WO1 and XO1) of QFPD might be promising leading compounds with good molecular docking score for 2019-nCov structure and non-structure proteins, revealing that QFPD treated COVID-19 by multi-component synergy. However, these newly monomer components should provide a further 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