Decoding the Molecular Dance: In Silico Exploration of Cannabinoid Interactions with Key Protein Targets for Therapeutic Insights

As hemp-based cannabinoids are continuously gaining popularity, synthesis and extraction methods for these compounds are ever-changing. Within the cannabinoid market, hydrogenated derivatives are also gaining popularity at an accelerated rate, with the need for in-depth analysis of these compounds pertinent to increasing the knowledge of cannabis chemistry. Our lab used Schrödinger to dock natural and synthetic cannabinoids in various CB1 and CB2 receptors, PPAR-γ, PAK1, and GPR119 complex including several enzymes, to evaluate the interacting residues within the known binding pockets, comprising the computation of binding energies, predicting ADME characteristics, and evaluating P450 sites of metabolism. The purpose of identifying active residues, sites of metabolism, and ADME characteristics for 40 various cannabinoids is to provide guidance in computer-aided drug design and rationalization in designing and synthesis of analogs

Saturated Cannabinoids: Update on synthesis strategies and biological studies of these emerging cannabinoid analogs.

Natural and non-natural hexahydrocannabinols (HHC) were first described in 1940 by Adam and in late 2021 arose on the drug market in the United States and in some European countries. A background on the discovery, synthesis, and pharmacology studies of hydrogenated and saturated cannabinoids is described. This is harmonized with a summary and comparison of the cannabinoid receptor affinities of various classical, hybrid, and non-classical saturated cannabinoids. A discussion of structure-activity relationships with the four different pharmacophores found in the cannabinoid scaffold is added to this review. According to laboratory studies in vitro, and in several animal species in vivo, HHC is reported to have broadly similar effects to Δ9-tetrahydrocannabinol (Δ9-THC), the main psychoactive substance in cannabis, as demonstrated both in vitro and in several animal species in vivo. However, the effects of HHC treatment have not been studied in humans, and thus a biological profile has not been established

A new genotyping scheme based on MLVA for inter-laboratory surveillance of Streptococcus pyogenes.

International audienceA newly developed MLVA seven-loci scheme for Streptococcus pyogenes is described. The method can be successfully applied by using both agarose gel with visual inspections of bands and Lab on Chip technology. The potential of the present MLVA has been tested on a collection of 100 clinical GAS strains representing the most common emm types found in high-income countries plus 18 published gap-free genomes, in comparison to PFGE and MLST. The MLVA analysis defined 30 MLVA types with ten out of the considered 15 emm types exhibiting multiple and specific MLVA types. In only one occasion the same MLVA profile was shared between isolates belonging to two different emm types. A robust congruency between the methods was observed, with MLVA discriminating within clonal complexes as defined by PFGE or MLST. This new MLVA scheme can be adopted as a quick, low-cost and reliable typing method to track the short-term diffusion of GAS clones in inter-laboratory-based surveillance

Ultrasonic or Microwave Modified Continuous Flow Chemistry for The Synthesis of Tetrahydrocannabinol: Observing Effects Of Various Solvents And Acids

Synthesizing tetrahydrocannabinol is a lengthy process with minimal yields and little applicability on an industrial scale. To close the gap between bench chemistry and industry process chemistry, this paper introduces a small-scale flow chemistry method that utilizes a microwave or ultrasonic medium to produce major tetrahydrocannabinol isomers. This process produces excellent yields and minimal side products, which leads to more efficient large-scale production of desired cannabinoids