Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles were synthesized by using Ru catalysed 1,3 dipolar cycloaddition. All the newly synthesized compounds and pure enantiomers were more potent than fluconazole against Candida albicans. Docking of 9A and 9B showed different conformation in the active site of Cyp51 of Candida albicans. The more active compounds 2 and 2A did not exhibit any toxicity up to 3.12 mg mL À1 against mammalian cell line L929.

The synergistic combination of two catalysts is an emerging strategyt owards the formation of unprecedented complex molecules, and herein bovine serum albumin (BSA) and the neutrali onic liquid 1-butyl-3-methylimidazolium bromide ([bmim]Br)a re used together for the first time towards multiple CÀCa nd CÀSb ond-formation reactions in one pot under metal-free, acid-free, andb ase-free conditions by merging two classical namedr eactions, that is, aldol condensation (AC) and thia-Michael addition (TMA) for the cascade chemoselective generation of b-aryl-b-sulfido carbonyl compounds from aliphatic ketones, aromatic aldehydes, and thiols. NMR spectroscopy and DFT calculations studies provided insight into the synergism, progress, and mechanism of the reaction, and control experiments highlighted that the single catalysts (BSAo r IL) alone didnot allow even the first AC step to proceed. Moreover this synergistic BSA-[bmim]Br catalytic system offers the step-economical synthesis of the anticoagulantw arfarin through sequential aldol-Michael addition reactions and potent pyridine analogues throughaKnoevenagel-Michael route. Besides,t he recyclability of the catalytic system (up to 5times) with the generationo fw ater as ab yproductm akes our one-pot protocol more economically efficient and synthetically attractive than traditional methods.The creation of multiple carbon-carbon or carbon-heteroatom bonds in one pot provides operational simplicity,c ost effectiveness, highery ields, and energy efficiency.T hese benefits are broadly encompassed under the periphery of green chemistry and are generally accomplished by using multicomponent reactions (MCRs), [1] which have been used for the preparation of structurally diversem olecules, including druglikec ompounds. [1b-d] As ar esult, more efficient multicomponent cascade [2] reactions have emerged as significant tools in the moderne ra of organics ynthesis. Over the decade, al arge number of catalytic systems, [3] including transition metals, [3a] organocatalysts, [3b] and biocatalysts, [3c-e] have been explored for MCRs. [1][2][3] In this context, biocatalyzed MCRs are becomingm ore appealing because of inherent environmental advantages alongw ith the requirement for milder reaction conditions without the generation of side products.A mong variousb iocatalysts,b ovine serum albumin [4] (BSA or "Fraction V"), an on-enzymatic transporter protein, occupies the shelf of chemists when it comes to choosing ab iocatalyst, owing to its strong affinity to bind organic molecules by reversible noncovalent complexation in its hydrophobic pockets, [4e] whereby the organic molecules can then undergo numerous organic transformations [4a-c] to provide productsi nh igh yields with excellent stereoselectivity;f urthermore, BSA is compatible with green solvents [5] such as water [5b] and ionic liquids( ILs). [5c] In many instances, the preferential use of ILs [6] over organic solvents as reactionm edia for biocatalysis is due to their high ability of dissolving aw idev ariety of ...

Objectives:To evaluate the in vitro growth inhibition of Candida albicans, in the soft-liner material and Shore A hardness from resin-based denture soft lining materials modified by neem or garlic incorporation.Materials and Methods:Resin discs were prepared with poly methyl methacrylate (PMMA) and soft liners incorporated with varying concentrations of neem or garlic. For antifungal activity, resin discs were placed on agar plates inoculated with C. albicans and were evaluated after 2, 4, and 7 days using the streaking method. The hardness of the PMMA was evaluated with the use of Shore A at 2, 4, and 7 days. Data were statistically processed by SPSS software (IBM Company, Chicago, USA) using Kruskal–Wallis test, and post hoc comparisons were done using Dunn's test. P <0.05 was considered statistically significant.Results:Neem and garlic added to PMMA soft liner had an inhibitory effect on C. albicans. Both the neem and garlic when added showed positive results against C. albicans when compared to the control group. The soft liner hardness increased statistically by time but not for the different plant extract concentrations.Conclusions:Within the limitations of this in vitro study, it was found that neem and garlic can be used as an additive to tissue conditioner to reduce the adherence of C. albicans without significantly affecting the hardness of the heat-polymerized acrylic resin.