این سایت در حال حاضر پشتیبانی نمی شود و امکان دارد داده های نشریات بروز نباشند
Research Journal of Pharmacognosy، جلد ۸، شماره ۴، صفحات ۳۷-۵۱
عنوان فارسی
چکیده فارسی مقاله
کلیدواژه‌های فارسی مقاله
عنوان انگلیسی In silico Study of Some Natural Anthraquinones on Matrix Metalloproteinase Inhibition
چکیده انگلیسی مقاله Background and objectives: Matrix metalloproteinase-13 (MMP-13) is a proteolytic enzyme playing an important role in the activation of the MMP cascade, which seems to be vital in both bone metabolism and homeostasis. However, the up-regulation of MMP-13 is involved in developing several human disorders such as aggressive tumors, tooth decay, rheumatoid arthritis, osteoarthritis, skin ageing, and Alzheimer's disease. We performed a molecular docking analysis to discover the potential MMP-13 inhibitors in a total of 21 anthraquinone derivatives. Methods: The binding affinity of the tested compounds to the MMP-13 catalytic site was estimated by the Autodock 4.0 software. Moreover, the stability of the docked pose of the top-ranked compounds were examined using molecular dynamics simulations. Results: Pulmatin, sennidin A, emodin-8-glucoside, emodin, rhodoptilometrin, chrysophanol, knipholone, sennidin B, aloe emodin 8-glucoside, and aloe-emodin demonstrated considerable binding affinity to the MMP-13 active site. However, the molecular dynamics simulations showed that the docked poses of sennidin A and sennidin B were not considerably stable. Conclusion: The present study suggested that pulmatin, emodin-8-glucoside, emodin, rhodoptilometrin, chrysophanol, knipholone, aloe emodin 8-glucoside, and aloe-emodin may be considered as drug candidates for therapeutic applications in many human diseases. However, the validation of this finding is needed in the future.
کلیدواژه‌های انگلیسی مقاله Anthraquinones,cancer,matrix metalloproteinase-13,MMP inhibitor,Molecular docking
نویسندگان مقاله Amir Taherkhani |
Research Center for Molecular Medicine, Hamadan University of Medical Sciences, Hamadan, Iran.

Shirin Moradkhani |
Department of Pharmacognosy, School of Pharmacy, Medicinal Plants and Natural Product Research Center, Hamadan University of Medical Sciences, Hamadan, Iran.

Athena Orangi |
Dental Research Center, Department of Restorative Dentistry, Dental School, Hamadan University of Medical Sciences, Hamadan, Iran.

Alireza Jalalvand |
Department of Influenza and Other Respiratory Viruses, Pasteur Institute of Iran, Tehran, Iran.

Zahra Khamverdi |
Dental Research Center, Department of Restorative Dentistry, Dental School, Hamadan University of Medical Sciences, Hamadan, Iran.

نشانی اینترنتی http://www.rjpharmacognosy.ir/article_135900_2443166e7219a261f7d8c529936ea219.pdf
فایل مقاله فایلی برای مقاله ذخیره نشده است
کد مقاله (doi)
زبان مقاله منتشر شده en
موضوعات مقاله منتشر شده
نوع مقاله منتشر شده
برگشت به: صفحه اول پایگاه   |   نسخه مرتبط   |   نشریه مرتبط   |   فهرست نشریات