The drug likeness analysis of anti-inflammatory clerodane diterpenoids

Abstract

Inflammation is an active defense response of the body against external stimuli. Long term low-grade inflammation has been considered as a deteriorated factor for aging, cancer, neurodegeneration and metabolic disorders. The clinically used glucocorticoids and non-steroidal anti-inflammatory drugs are not suitable for chronic inflammation. Therefore, it’s urgent to discover and develop new effective and safe drugs to attenuate inflammation. Clerodane diterpenoids, a class of bicyclic diterpenoids, are widely distributed in plants of the Labiatae, Euphorbiaceae and Verbenaceae families, as well as fungi, bacteria, and marine sponges. Dozens of anti-inflammatory clerodane diterpenoids have been identified on different assays, both in vitro and in vivo. In the current review, the up-to-date research progresses of anti-inflammatory clerodane diterpenoids were summarized, and their druglikeness was analyzed, which provided the possibility for further development of anti-inflammatory drugs.

Indigenous Uses, Phytochemical Analysis, and Anti-Inflammatory Properties of Australian Tropical Medicinal Plants

“…Hautriwaic acid, isolated from Mexican medical plant, Dodonaea viscosa, also reduced TPA-induced ear oedema in mice by 60.2%, 70.2%, and 87.1% at 0.25, 0.5, and 1.0 mg/ear concentrations [138]. When Feng et al (2020) evaluated the 'drug-likeliness' of 65 anti-inflammatory clerodane diterpenoids (compared with marketed drugs) using SwissADME, a web-based tool by the Swiss Institute of Bioinformatics [267], many of them fulfill parameters within SwissADME [268]. They found that a lactone ring between C-18 and C-19 is mainly responsible for anti-inflammatory activity.…”

Anti-pseudo-allergic components in licorice extract inhibit mast cell degranulation and calcium influx

“…urticaria, pruritus, angioedema, gastrointestinal symptoms or bronchospasm. PARs usually occur upon the application of drugs, functional foods or food additives, which has been a serious public health concern [1,2]. MAS-related G protein-coupled receptor-X2 (MRGPRX2) has been found to mediate PARs [3][4][5].…”

Clerodane diterpenoids with anti-inflammatory and synergistic antibacterial activities from Tinospora crispa

“…2 Clerodane diterpenoids are isolated from a wide range of plants with anti-inflammatory, antibacterial, cardioprotective, immunomodulatory, antiviral and other biological activities. [3][4][5][6][7][8] Approximately 25% of clerodanes have an H-10/H 3 -19 cis ring fusion and are typically produced from the Menispermaceae family; 9 for example, tinosinenoside A and B, tinospinoside D and E and cordifolide A-C were obtained from the genus Tinospora of the Menispermaceae family. [10][11][12] Tinospora crispa, belonging to the genus Tinospora of the Menispermaceae family, is rich in clerodane diterpenoids and has attracted considerable attention.…”