An in silico ADME/T and molecular docking studies of phytochemicals derived from Holigarna caustica (Dennst.) for the management of pain

Enam, Tonima; Agarwala, Rashni; Chowdhury, Md. Helal Uddin; Chy, Md. Nazim Uddin; Adnan, Md.

doi:10.56717/jpp.2022.v01i01.005

Cited by 1 publication

(1 citation statement)

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“…Other studies used the same residue-limited active site to evaluate phytochemicals derived from Holigarna caustica (Dennst.) and Sterculia foetida for pain management [ 36 ].…”

Section: Discussionmentioning

confidence: 99%

Phenolic Composition, Wound Healing, Antinociceptive, and Anticancer Effects of Caralluma europaea Extracts

et al. 2023

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Caralluma europaea (Guss.) is an important medicinal plant widely used in Morocco for various traditional purposes. Our work aimed to evaluate the phenolic composition, wound healing, antinociceptive, and anticancer activities of C. europaea extracts. Moreover, this study assessed the beneficial effect of C. europaea phytocompounds on the TRADD, cyclooxegenase-2, Wnt/β-catenin, and tyrosine kinase signaling pathways. The wound healing effect of C. europaea formulations against skin burn was evaluated for 21 days. The cytotoxic effect of the C. europaea extracts was evaluated against human leukemic (K562 and HL60) and liver cancer cell lines (Huh-7) using the MTT test. All the phytoconstituents identified by UHPLC in the polyphenols were docked for their inhibitory power on protein casein kinase-1, glycogen synthase kinase-3-β, cyclooxegenase-2, tyrosine kinase, and TRADD. Luteolin and kaempferol are the main compounds identified in C. europaea polyphenols. The group treated with polyphenols showed the greatest wound contractions and all tested extracts presented a significant antinociceptive effect. Polyphenols showed a remarkable antitumoral activity against the K562, HL60 and Huh-7 cell lines. Saponins exerted an important cytotoxic effect against the Huh-7 cell line, whereas no cytotoxicity was observed for the hydroethanolic and flavonoids extracts. Hesperetin and trimethoxyflavone presented the highest docking G-score on tyrosine kinase and cyclooxygenase, respectively.

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“…Other studies used the same residue-limited active site to evaluate phytochemicals derived from Holigarna caustica (Dennst.) and Sterculia foetida for pain management [ 36 ].…”

Section: Discussionmentioning

confidence: 99%