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1.
Comput Biol Med ; 175: 108491, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38657467

RESUMEN

Insomnia, a widespread public health issue, is associated with substantial distress and daytime functionality impairments and can predispose to depression and cardiovascular disease. Cognitive Behavioral Anti-insomnia therapies including benzodiazepines often face limitations due to patient adherence or potential adverse effects. This study focused on identifying novel bioactive compounds from medicinal plants, aiming to discover and develop new therapeutic agents with low risk-to-benefit ratios using computational drug discovery methods. Through a systematic framework involving compound library preparation, evaluation of drug-likeness and pharmacokinetics, toxicity prediction, molecular docking, and molecular dynamic simulations, two natural compounds such as 2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-6-prop-2-enyl-3,4-dihydro-2H-chromen-3-ol from Ocimum tenuiflorum and 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid from Poria cocos exhibited high binding affinity with orexin receptor type 1 (OX1R) and type 2 (OX2R), surpassing commercial drugs used in insomnia treatment. Additionally, they showed interactions with critical amino acid residues within the receptors that play crucial roles in competitive inhibitor activity, like commercial drugs such as Suvorexant, Lemborexant, and Daridorexant. Further, molecular dynamics simulations of the protein-ligand complexes under conditions that mimic the in vivo environment revealed both compounds' sustained and robust interactions with the OX1R and OX2R, reinforcing their potential as effective therapeutic candidates. Furthermore, upon evaluating both compounds' drug-likeness, pharmacokinetics, and toxicity profiles, it was discerned that they displayed considerable drug-like properties and favorable pharmacokinetics, along with diminished toxicity. The research provides a solid foundation for further exploring and validating these compounds as potential anti-insomnia therapeutics.


Asunto(s)
Simulación del Acoplamiento Molecular , Ocimum , Trastornos del Inicio y del Mantenimiento del Sueño , Trastornos del Inicio y del Mantenimiento del Sueño/tratamiento farmacológico , Humanos , Ocimum/química , Simulación de Dinámica Molecular , Extractos Vegetales/química , Extractos Vegetales/uso terapéutico
2.
J Educ Health Promot ; 12: 152, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-37404906

RESUMEN

BACKGROUND: This study aimed to investigate the effect of group cognitive behavioral therapy (CBT) on depression, anxiety, stress, and self-esteem in public health students at the University in Southern Thailand. MATERIALS AND METHODS: The study employed a quasi-experimental, one-group, and pre-test -post-test design. Purposive sampling was employed to include 31 students, selected from those with screening indicating mild to moderate depression. While 28 of them (90.3%) were female, three (9.7%) were male. Their age range was 18-21 years, averaging 19.5 years. The instruments were the Thai translation of the Depression, Anxiety, and Stress Scale (DASS-21) and the Thai version of the Rosenberg Self-Esteem Scale (RSES), which were evaluated and produced high validity and reliability results. Data was collected through online questionnaires. A pre-test and a post-test were utilized to measure the participants' depression, anxiety, stress, and self-esteem before and after participating in a group CBT, comprising eight sessions in two months. RESULTS: Revealed significant improvements in depression (P = .001), anxiety (P = .040), and stress (P = .002), while self-esteem (P = .465, >.05) was not significant. CONCLUSION: Group CBT sessions were effective at relieving depression, anxiety, and stress, but not self-esteem. Accordingly, further studies might consider these results and expand on this topic by broadening the population to different majors.

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