No abstract

No abstract

In search of modern ways to increase secondary metabolites production in plants, implement genetic engineering, and produce green pollution-free medicinal plants, modern computer-based techniques must be regarded. The introduction of Computer Aided Drug Discovery (CADD), in particular in-silico molecular modeling protocols have become indispensable for the study of macromolecular structures and interactions. In addition, the application of chemometric techniques allowed the analysis of multivariate data. Molecular pharmacognosy has been also introduced to carry the traditional pharmacognosy mission into a molecular level.

Background: Herbal medicines comprise a crucial traditional remedy in the treatment of various respiratory ailments.However, the quality control of these herbal drugs is regarded as a main obstacle for their safety and efficacy.Objectives: To assess the quality of different herbal preparations in the Egyptian market containing volatile oils used in the treatment of respiratory disorders.Methods: Four different herbal preparations were purchased from the Egyptian pharmaceutical market: formula 1, 2 in form of powder and formula 3 and 4 inform of syrup. The essential oils of different herbal products were obtained by hydro-distillation, and subjected to GC/MS analysis for quantitative estimation. Furthermore, determination of pesticides residue, aflatoxins, certain microelements, heavy metals, and microbial contaminates were carried out.Results: Fifty-four compounds were identified in formula 1, where anethole (34.15%) was the main identified compound followed by p-cymene (8.16%). In formula 2, estragole (10.81%) and caryophyllene (8.65%) followed by anethole (7.41%) were the major identified compounds from 71.27% detected ones. Seven main components were identified in the oil of formula 3, the majors components were thymol (47.84%) and anethole (34.73%). Regarding formula 4, twenty four compounds were identified where thymol (63.24%) and anethole (9.33%) were the major constituents. Results of pesticide residues and heavy metals were in accordance with the international standards. All preparations were free from pathogenic organisms. No aflatoxins were detected. Conclusion:The selected herbal preparations obey the official standards of health care.