Network pharmacology and molecular docking study for biological pathway detection of cytotoxicity of the yellow jasmine flowers.

BACKGROUND: The yellow jasmine flower (Jasminum humile L.) is a fragrant plant belonging to the Oleaceae family with promising phytoconstituents and interesting medicinal uses. The purpose of this study was to characterize the plant metabolome to identify the potential bioactive agents with cytotoxic effects and the underlying mechanism of cytotoxic activity. METHODS: First, HPLC-PDA-MS/MS was used to identify the potential bioactive compounds in the flowers. Furthermore, we assessed the cytotoxic activity of the flower extract against breast cancer (MCF-7) cell line using MTT assay followed by the cell cycle, DNA-flow cytometry, and Annexin V-FITC analyses alongside the effect on reactive oxygen species (ROS). Finally, Network pharmacology followed by a molecular docking study was performed to predict the pathways involved in anti-breast cancer activity. RESULTS: HPLC-PDA-MS/MS tentatively identified 33 compounds, mainly secoiridoids. J. humile extract showed a cytotoxic effect on MCF-7 breast cancer cell line with IC50 value of 9.3 ± 1.2 µg/mL. Studying the apoptotic effect of J. humile extract revealed that it disrupts G2/M phase in the cell cycle, increases the percentage of early and late apoptosis in Annexin V-FTIC, and affects the oxidative stress markers (CAT, SOD, and GSH-R). Network analysis revealed that out of 33 compounds, 24 displayed interaction with 52 human target genes. Relationship between compounds, target genes, and pathways revealed that J. humile exerts its effect on breast cancer by altering, Estrogen signaling pathway, HER2, and EGFR overexpression. To further verify the results of network pharmacology, molecular docking was performed with the five key compounds and the topmost target, EGFR. The results of molecular docking were consistent with those of network pharmacology. CONCLUSION: Our findings suggest that J. humile suppresses breast cancer proliferation and induces cell cycle arrest and apoptosis partly by EGFR signaling pathway, highlighting J. humile as a potential therapeutic candidate against breast cancer.

COVID-19: Vaccine Delivery System, Drug Repurposing and Application of Molecular Modeling Approach.

The acute respiratory syndrome coronavirus (SARS-CoV-2) has spread across the world, resulting in a pandemic COVID-19 which is a human zoonotic disease that is caused by a novel coronavirus (CoV) strain thought to have originated in wild or captive bats in the initial COVID outbreak region. The global COVID-19 outbreak started in Guangdong Province, China's southernmost province. The global response to the COVID-19 pandemic has been hampered by the sheer number of infected people, many of whom need intensive care before succumbing to the disease. The epidemic is being handled by a combination of disease control by public health interventions and compassionate treatment for those who have been impacted. There is no clear anti-COVID-19 medication available at this time. However, the need to find medications that can turn the tide has led to the development of a number of investigational drugs as potential candidates for improving outcomes, especially in the severely and critically ill. Although many of these adjunctive medications are still being studied in clinical trials, professional organizations have attempted to define the circumstances in which their use is deemed off-label or compassionate. It is important to remind readers that new information about COVID-19's clinical features, treatment options, and outcomes is released on a regular basis. The mainstay of treatment remains optimized supportive care, and the therapeutic effectiveness of the subsequent agents is still being studied.

Bilateral intra-oral distraction osteogenesis for the management of severe congenital mandibular hypoplasia in early childhood.

INTRODUCTION: Young children with severe mandibular hypoplasia usually present with varying degrees of peripheral airway obstruction and difficulty with feeding. Early treatment is important for such children. Distraction osteogenesis (DO) using intra-oral devices provides an excellent alternative when other surgical techniques do not prove to be satisfactory. AIM OF THE WORK: To evaluate the long-term efficacy of intra-oral bilateral DO in the treatment of severe congenital mandibular hypoplasia in early childhood. PATIENTS AND METHODS: Seven patients (4 females and 3 males), their ages ranged from 7 months to 8 years (with a mean of 34 months). They presented with severe congenital mandibular hypoplasia with obstructive sleep apnoea and difficulty in feeding. All patients were treated with bilateral mandibular DO, using an intra-oral unidirectional unburied distractor. The average follow-up period was 3.7 years (range, 2-5 years). RESULTS: The patients were successfully treated using bilateral intra-oral unidirectional distractor by the use of a modified technique. After completion of distraction, retrognathia was corrected in all patients. The "subjective" symptoms had disappeared completely or had been alleviated. The mean effective airway space increase (defined by the lateral cephalograms measurements) was 70.5% (range, 31-105%, p<0.01) when compared with pre-distraction. The apnoea/hypopnoea index was lowered from 60 (9.8-126.5) to 1.57 (0-16.4) and the sleep apnoea symptoms had disappeared. The mean oxygen saturation increase was from 80% to 98% post-distraction. CONCLUSION: DO can consistently produce a measurable cross-section airway improvement in patients as young as 7 months.