Cryo-Ground Mango Kernel Powder: Characterization, LC-MS/MS Profiling, Purification of Antioxidant-Rich Gallic Acid, and Molecular Docking Study of Its Major Polyphenols as Potential Inhibitors against SARS-CoV-2 Mpro.

Mango processing waste (MPW) is an inexpensive and rich source of valuable substances. Hence, the mango kernel powder (MKP) from four cultivars (Chausa, Neelum, Barahmasi, and Dashehari) was characterized for the selection of the best cultivar. The MKP of the best cultivar (Dashehari) was analyzed for the profiling of polyphenols using LC-MS/MS in both modes of ionization (positive and negative) and indicated the presence of 50 compounds with specific retention times. After identification, gallic acid (GA), an important industrial compound, was targeted and purified followed by its confirmation using NMR (600 MHz) and HRMS. The antioxidant activity (IC50: 1.96 µg/mL) of extracted GA proposes its use as a natural antioxidant in novel food formulations. Additionally, SARS-CoV-2 main protease (Mpro) was selected for molecular docking based virtual screening of seven major polyphenols (MKP), and the results were compared with hydroxychloroquine. The docking scores of targeted polyphenols revealed that three compounds (epicatechin, mangiferin, and quercetin) exhibited appreciable proteolytic activity against Mpro. In this way, it is a favorable approach toward environmental safety on the standpoint of green chemistry owing to the use of food processing waste and elimination of the waste dumping/composting problems.

Self-Assembled Tea Tannin Graft Copolymer as Nanocarriers for Antimicrobial Drug Delivery and Wound Healing Activity.

Green chemistry polymers from renewable resources have recently received much more attention from pharmaceutical researchers. However, the appropriate application of a polymer depends on its chemical nature, biocompatibility and microstructure. Here, tannin polyphenols from the common beverage, tea, are used to develop a novel self-assembled porous capsule as a microstructure of hydrogel for versatile biological applications, such as drug delivery, antioxidant and wound healing activity. Hydrogel has been successfully used for the delivery of both anticancer and antimicrobial drugs. The developed material shows excellent biocompatibility and antioxidant activity in vitro. The scratch assay for in vitro wound healing activity reveals their higher potential to repair the damaged cells in comparison to control.

Antibacterial coating on in-line suction respiratory catheter to inhibit the bacterial biofilm formation using renewable cardanyl methacrylate copolymer.

Health-care materials associated with infections are very common in hospital admitted patients. There are generally infected by contact with the catheter or other multipurpose devices which are contacted with microbes. The respiratory infections associated with the pathogens having strong biofilm forming ability on catheter surface, causes life-threatening in every year. Therefore, a catheter coating material is of great interest which inhibits the biofilm formation of pathogens on a catheter to prevent respiratory infections. In this study, we synthesized cardanol containing copolymers as antimicrobial healthcare material via radical polymerization of cardanyl methacrylate (CMA) with styrene (St) monomer in presence of free radical initiator. The rate of polymerization was drastically reduced with the increase of feeding CMA monomer in copolymer. The thermal and mechanical properties were found to increase with incorporation of cardanol moiety in brittle and hard polystyrene. This soft copolymer was grafted onto polyvinyl chloride respiratory catheter which showed high antibacterial activity, inhibit the biofilm formation and also prevent bacterial adhesion. Therefore, the developed coating material on respiratory catheter surface is effective way to control the respiratory catheter-associated nosocomial infections.

Radical scavenging and antibacterial activity of caffemides against gram positive, gram negative and clinical drug resistance bacteria.

A new series of caffemide were synthesized and their antioxidant and antibacterial activities were explored. Antioxidant and antibacterial activities were measured of different structures of caffemide containing different functional groups. Anti-oxidative caffemides 1b and 1g showed significantly higher activity against different bacteria with MIC values less than 50µg/ml. These anti-oxidative and antibacterial properties of caffemides might be helpful for the treatment of secondary infections and discovery of new antibiotics.

Self-assembled cardanol azo derivatives as antifungal agent with chitin-binding ability.

Cardanol is a non-isoprenoic phenolic lipid-mixture of distilled cashew nut shell liquid obtained from Anacardium occidentale. Herein, cardanol is purified from cashew nut shell liquid (CNSL) and synthesized to new compounds with different azo amphiphiles. These synthesized compounds are allowed to self-assembled in hydrophobic environment and checked antifungal activity against Candida albicans. Self-assembled structure of CABA showed higher antifungal activity (16µg/mL) and chitin-binding ability in comparison to CAP and CANB. Furthermore, the self-assembled azo amphiphiles are immobilized with silver ions to prepare hydrogel which showed eight folds enhanced antifungal activity. Toxicity is reduced by several folds of self-assembled or hydrogel structure in comparison to pure compounds. Thus, the self-assembled structure of amphiphiles and their hydrogels have been found to be new macromolecules of interest with potential use as antifungal drugs.

Factors affecting the resolution of dl-menthol by immobilized lipase-catalyzed esterification in organic solvent.

Among 10 lipases tested, Candida rugosa lipase exhibited the best ability to catalyze the resolution of dl-menthol in organic solvent. The lipase was immobilized on different carriers, and the experiment was carried out with different acyl donors. The high yield and optical purity of the product were achieved in cyclohexane with valeric acid as acyl donor using C. rugosa lipase immobilized on DEAE-Sephadex A-25. The conversion of dl-menthol depended on the water content of immobilized lipase and on the pH of the aqueous solution from which lipase was immobilized. The operational stability of the DEAE-Sephadex A-25 immobilized lipase in catalysis of the esterification reaction showed that >85% activity remained after 34 days of repeated use. The resolution of racemic menthol in organic medium catalyzed by immobilized C. rugosa lipase-catalyzed esterification is very convenient, and it represents a significant improvement in the use of enzyme for the preparative production of optically active menthol. This process is readily applicable to large-scale preparation.