Green Synthesis of Novel Triazolothiadiazine‐Coumarins Catalyzed by Agro Waste Extract: An Approach towards In‐Silico and In‐Vitro Anti‐Fungal Activity

Abstract

A green, commodious, immensely versatile synthetic route for agro waste extract WELPSA catalyzed cyclocondensation of biologically active triazolothiadiazine‐coumarin hybrid derivatives has been studied. A proficient synthesis offused heterocycles 9 i–wvia dehydrative condensation with cyclization of4‐((4‐amino‐5‐mercapto‐4H‐1,2,4‐triazol‐3‐yl)methyl)‐2‐aryl‐2,4‐dihydro‐3H‐1,2,4‐triazol‐3‐one (5 a‐‐c) and substituted bromoacyl coumarins (8 d‐‐h)has been incorporated in presence of different catalysts including WELPSA, a green catalyst. The in silico docking studies of these previously unknown compounds revealed favorable C score and Chemscore values and the in vitro antifungal assay against three fungal strains showed excellent to good activity.

Microwave-assisted copper(i) catalyzed A3 cascade coupling of imidazo[1,2-a]pyridines via C–H bond functionalization as selective COX-2 inhibitors and antioxidants, and in silico studies

“…IC 50 values of 10–50, 50–100, and >100 μg mL −1 signify strong, moderate and poor antioxidant activities respectively. 34 The results of the accomplished radical scavenging activity, shown in Table 4, demonstrated that the compounds 8f , 8h , 8i , 8l , 8n , 8p , 8r , 8s , and 8t with substituents such as halogen, alkyl and amine groups demonstrated very good antioxidant activities with IC 50 values of 24.12, 23.04, 24.25, 20.45, 21.39, 22.89, 24.26, 24.36 and 21.85 (Fig. 3).…”

Cu (Ι) catalyzed A3 cascade coupling via C‐H functionalization followed by cyclization: Synthesis, in silico, in vitro, and toxicity studies of imidazo[2,1‐b]thiazoles

“…Imidazo[2,1‐ b ]thiazole being one such medicinally vital synthetic product is one of the most important fused sulfur‐containing heterocycles widely found in the various biologically active agents (Figure 1). [ 1–4 ] Renowned anthelmintic and immunomodulatory drug Levamisole marketed under the trade name Ergamisol composes of imidazo[2,1‐ b ]thiazole system as its fundamental unit. [ 5,6 ]…”

“…Imidazo [2,1-b]thiazole being one such medicinally vital synthetic product is one of the most important fused sulfur-containing heterocycles widely found in the various biologically active agents (Figure 1). [1][2][3][4] Renowned anthelmintic and immunomodulatory drug Levamisole marketed under the trade name Ergamisol composes of imidazo [2,1-b]thiazole system as its fundamental unit. [5,6] The establishment of C-N bonds is a persisting topic owing to the immense efficacy of nitrogen-comprising compounds in various natural products, bioactive molecules, and pharmaceutical drugs.…”

“…A few of the most powerful approaches composes of the metal-catalyzed insertion of alkynes to imine intermediates, in addition to the one-pot coupling reaction of alkynes, amines, and carbonyl compounds. [11,12] Ag I salts, AuI/Au III salts, Au III -salen (salen = N,N 0 -bis(salicylidene)ethylenediamine) complexes, Cu I salts, Hg 2 Cl 2 , Ir I complexes, Cu/Ru II bimetallic systems, ZnCl 2 , InCl 3 , and FeCl 3 have been evolved as the catalysts for A 3 coupling, amid which copper compounds have been studied extensively. [13] Copper-facilitated reactions have an extended narration in organometallic chemistry.…”

“…Taking sustainability into consideration, transition-metal-catalyzed [8,9] C-N bond formation via direct C-H bond amination is becoming an influential and realistic accoutrement in modern synthetic chemistry. [10] Substantial progress has been made in A 3 -coupling reactions through contemporary years. Numerous transition-metal catalysts have been utilized that activate the C-H bond of the terminal alkyne.…”