Predicting the potential toxicity of 26 components in Cassiae semen using in silico and in vitro approaches

Abstract

Graphical abstract

The Cao-Xiang-Wei-Kang formula attenuates the progression of experimental colitis by restoring the homeostasis of the microbiome and suppressing inflammation

“…The dosage of DC in the CW formula for adults was 0.3 g/d, which is far less than the recommended level 3–6 g/d in Chinese Pharmacopoeia 2020 ( Huang et al, 2021 ) and hence resolves the concern regarding toxicity ( Bei-Xuan et al, 2016 ). The potential hepatoxicity of SR ( Yang et al, 2021 ) and FS might be counteracted by the detoxifying effect of GB ( Mahmoudi et al, 2013 ; Pan et al, 2016 ; Gao et al, 2020 ; Xiao et al, 2021 ). As a result, 16S rRNA gene sequencing results confirmed that the CW therapy inhibited the prevalence of Shigella sonne , which contributes to drug resistance ( Starling, 2017 ).…”

Preclinical activities of Cassia tora Linn against aging-related diseases

“…From the quantitative structure activity relationship study for hepato- and nephrotoxicity, chryso-obtusin, 1,7,8-methoxyl-2-hydroxyl-3-methyl-anthraquinone and chryso-obtusin-2- β -D-glucoside was supposed hepatotoxicity and 1,7,8-methoxyl-2-hydroxyl-3-methyl-anthraquinone, emodin, chrysophanol, aloe-emodin, rhein, rhein-8-O- β -D-glucoside, obtusifoline-2-O- β -D-glucoside and 9,10-anthracenedione were expected nephrotoxicity, and triptolide, a positive control, were showed renal and hepatic cytotoxicity (Ref. 32). Especially emodin showed the IC 50 = 139.90 μ M or 88.97 μ M of cytotoxicity in HK-2 normal kidney cells with single culture or co-culture, respectively and hepatoxicity in rat with 500 mg/kg orally by induction of CYP3A and depletion of GSH levels (Refs 32, 33).…”

“…32). Especially emodin showed the IC 50 = 139.90 μ M or 88.97 μ M of cytotoxicity in HK-2 normal kidney cells with single culture or co-culture, respectively and hepatoxicity in rat with 500 mg/kg orally by induction of CYP3A and depletion of GSH levels (Refs 32, 33). While ethanol extracts from C. tora seeds also was evaluated no toxicity in rat with oral administration of 500, 1000 and 2000 mg/kg/day for 13 weeks (Ref.…”

Acute toxicity of binary mixtures for quorum sensing inhibitors and sulfonamides against Aliivibrio fischeri: QSAR investigations and joint toxic actions

“…Hence, it is crucial to explore if A. fischeri bioluminescence demonstrates hormetic phenomena when subjected to acute exposures of QSIs, antibiotics, and their mixtures. In addition, quantitative structure–activity relationship (QSAR) is an effective tool for linking chemical toxicity with molecular structure, which could not only predict the toxic effects of chemicals or mixtures but also provide convincing support for corresponding mechanistic exploration ( Abramenko et al, 2020 , Chatterjee and Roy, 2021 , Yang et al, 2021 ). Therefore, the QSAR models could help to reveal the critical factors for the acute toxicity for the mixtures of QSIs and antibiotics, and meanwhile make their toxicity and risk estimation more convenient and efficient.…”