The LC-MS/MS Identification and Analgesic and Wound Healing Activities of Lavandula officinalis Chaix: In Vivo and In Silico Approaches

Abstract

We earlier emphasized in vivo the lavender plant’s (Lavandula officinalis Chaix.) anti-inflammatory and estrogenic activities and described the chemical compositions of its hydro-ethanolic (HE) extract. We used LC-MS/MS and GC-MS analyses to profile the phytochemical composition of the HE extract and to assess the analgesic and wound-healing effects of both the hydro-ethanolic (HE) and polyphenolic (LOP) extracts in vivo and in silico. The analgesic activity was studied using two methods: acetic acid and formalin injections in mice. The wound-healing activity was carried out over 25 days using a burn model in rats. In the in silico study, the polyphenols identified in the plant were docked in the active sites of three enzymes: casein kinase-1, cyclooxygenase-2, and glycogen synthase kinase-3β. The LC-MS/MS identified some phenolic compounds, mainly apigenin, catechin, and myricetin, and the GC-MS analysis revealed the presence of 19 volatile compounds with triazole, D-glucose, hydroxyphenyl, and D-Ribofuranose as the major compounds. The HE and LOP extracts showed significant decreases in abdominal writhes, and the higher licking time of the paw (57.67%) was observed using the LOP extract at 200 mg/kg. Moreover, both extracts showed high healing percentages, i.e., 99.31 and 92.88%, compared to the control groups, respectively. The molecular docking showed that myricetin, amentoflavone, apigenin, and catechin are the most active molecules against the three enzyme receptors. This study sheds light on the potential of L. officinalis Chaix as a source of natural products for pharmaceutical applications for analgesic purposes as well as their utility in promoting burn-healing activity.

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

“…The molecular docking of Lavandula officinalis phytocompounds showed a glide score energy between −4.596 and −5.34 kcal/mol in the active site of casein kinase-1, and a glide score energy between −6.298 and −7.652 kcal/mol in the active site of glycogen synthase kinase-3β [ 29 ]. Another study targeted CK1 in the same active site, hence the importance of this active site to target this protein [ 30 ].…”

“…This site is crucial for the catalytic activity of COX-2. A previous study targeted the same active site of cyclooxygenase-2 studied in our research; in this active site, Lavandula officinalis molecules showed a glide score energy of −6.156 and −7.526 kcal/mol [ 29 ]. Other studies used the same residue-limited active site to evaluate phytochemicals derived from Holigarna caustica (Dennst.)…”

LC-MS/MS and GC/MS Profiling of Petroselinum sativum Hoffm. and Its Topical Application on Burn Wound Healing and Related Analgesic Potential in Rats

“…According to the protocol of Heidari et al, (2019), after anesthesia of rats with pentobarbital (50 mg/kg) and shaving the dorsal part with an electric clipper [ 52 ], the induction of the burn was carried out on the shaved part using an aluminum rod (1.7 cm) heated to 110 °C for 10 s. After 24 h, the treatment was started by applying the ointments to the burned zones for 25 days while photographing the healing progress using a digital camera and the ruler used as a scale. ImageJ ® software was used to analyze the images and measure the rate of wound contraction using the following formula [ 53 ]: WC (%) = Rate of wound contraction. WS 0 = Size of the wound at the first day.…”

Formulation and Physicochemical Characterization of Terpenocannabinoid-Functionalized Hemp Oil Emulsifier: Assessment of Topical Anti-Inflammatory, Antinociceptive, Wound Healing Activity and Cutaneous Toxicity Effects

“…The three-dimensional structure of 5-Lipoxygenase (PDB ID: 3V99) was used to assess anti-inflammatory activity [29], cyclooxygenase-2 (prostaglandin synthase-2) (PDB ID: 6COX) to assess antinociceptive activity [30], and crystal structure of human casein kinase 1 (PDB ID: 6GZD) and crystal structure of glycogen synthase kinase 3 (PDB ID: 1Q5K) to evaluate wound healing activity [31]. These structures were directly sourced from the protein data bank.…”

“…In wound healing, the Wnt/β-catenin signaling pathway is crucial and involves several proteins, including glycogen synthase kinase-3β (GSK-3β) and casein kinase-1 (CK1) [30]. Benzenepropanoic acid and delta-9-Tetrahydrocannabivarin were the most active molecules against Casein Kinase 1 with a glide score of −5.540 and −4.741 kcal/mol.…”