Computational Tools to Expedite the Identification of Potential PXR Modulators in Complex Natural Product Mixtures: A Case Study with Five Closely Related Licorice Species.

The genus , comprising approximately 36 spp., possesses complex structural diversity and is documented to possess a wide spectrum of biological activities. Understanding and finding the mechanisms of efficacy or safety for a plant-based therapy is very challenging, yet it is crucial and necessary to understand the polypharmacology of traditional medicines.

Probing PXR activation and modulation of CYP3A4 by Tinospora crispa and Tinospora sinensis.

Ethnopharmacological Relevance: The two Tinospora species, T. crispa and T. sinensis, native to Southeast Asia, are integral components of various traditional preparations with structure-function claims to treat various disorders, including diabetes and inflammation.

Modulation of CYP3A4 and CYP2C9 activity by Bulbine natalensis and its constituents: An assessment of HDI risk of B. natalensis containing supplements.

Background: Bulbine natalensis is an African-folk medicinal plant used as a dietary supplement for enhancing sexual function and muscle strength in males by presumably boosting testosterone levels, but no scientific information is available about the possible herb-drug interaction (HDI) risk when bulbine-containing supplements are concomitantly taken with prescription drugs.

Purpose: This study was aimed to investigate the HDI potential of B. natalensis in terms of the pregnane X receptor (PXR)-mediated induction of major drug-metabolizing cytochrome P450 enzyme isoforms (i.

Undescribed phenylpropanoid and a dimeric sesquiterpenoid possessing a rare cyclobutane ring from .

A rare dimeric sesquiterpenoid (tinosposinoside, ) and a phenylpropanoid (cordifolioside C, ), two undescribed metabolites, were isolated from the methanolic extract of the stems of together with thirteen known compounds. This is the second example of a sesquiterpene dimer where two monomers linked together through a cyclobutane ring, possibly generated through [2 + 2] cycloaddition. The structures of and were elucidated by NMR and mass techniques.

Development of a chemical fingerprint as a tool to distinguish closely related Tinospora species and quantitation of marker compounds.

Tinospora species are morphologically similar. Several cases of human toxicity have been reported in association with T. crispa.

Rearranged clerodane diterpenoid from .

A new rearranged clerodane diterpenoid, tinocrispide was isolated from the stems of along with thirteen known compounds including eight clerodane diterpenoids. Among the known compounds baenzigeride A, (6 9 )vomifoliol and steponine are being reported for the first time from . Their structures were elucidated by 1 D and 2 D NMR and confirmed by HRESIMS.

Isoform selectivity of harmine-conjugated 1,2,3-triazoles against human monoamine oxidase.

Aim: There is little information available on the monoamine oxidase isoform selectivity of N-alkyl harmine analogs, which exhibit a myriad of activities including MAO-A, DYRK1A and cytotoxicity to several select cancer cell lines.

Results: Compounds 3e and 4c exhibited an IC of 0.83 ± 0.