Synthesis, molecular docking studies and biological evaluation of potent coumarin–carbonodithioate hybrids via microwave irradiation

In silico molecular docking studies and MM/GBSA analysis of coumarin-carbonodithioate hybrid derivatives divulge the anticancer potential against breast cancer

“…Hence, the coumarin-carbonodithioate derivative compounds (A to F) have been utilized as the secondary data from the earlier reported study [19]. Remaining (E to N) compounds identified for their antifungal and antibacterial activity in previously reported synthesis and molecular docking studies of potent coumarincarbonodithioate hybrids [27]. Our study analysis brought about an understanding of the anticancer potential of these compounds through in silico studies and comparing both sets of ligands with standard coumarin and alpelisib.…”

Design, Synthesis, Antimicrobial Evaluation, and Molecular Modeling Studies of Novel Indolinedione–Coumarin Molecular Hybrids

“…26−32 This elite class of moiety can then be considered to incorporate into the molecules to exhibit potential results. There are a number of molecules exhibiting excellent antimicrobial activity such as fluorinated chalcone-1,2,3-triazole conjugates (11), coumarin− 1,2,3-triazole hybrids (12), dehydroacetic acid-chalcone-1,2,3triazole hybrids (13), 1,2,3-triazole-linked chalcone and flavone hybrids (14), theophylline containing 1,2,3-triazole nucleoside derivatives (15), ciprofloxacin-triazole conjugates (16), and 4-substituted 1,2,3-triazole coumarin hybrids (17). 33−38 This active moiety can then be selected to incorporate into target molecules as a linker between two active pharmacophoric moieties, that is, coumarin and indolinedione (Figure 2).…”

“…Coumarin is a plant secondary metabolite, that exhibits a wide variety of biological activities such as antimicrobial and its derivatives have reported for anticoagulant, anti-inflammatory, antimicrobial, anti-HIV, antioxidant, antiallergic, anticancer, antiproliferative, and antiviral activities. − There are numerous evidence on coumarin-based hybrid molecules with promising antimicrobial potential which includes coumarin–theophylline hybrids ( 1 ), coumarin–carbonodithioate hybrids ( 2 ), coumarin–benzimidazole hybrids ( 3 ), coumarin–imidazole hybrids ( 4 ), coumarin–thiazolyl hybrids ( 5 ), coumarin–sulfonamide hybrids ( 6 ), 2-aminothiazole hybrids ( 7 ), and coumarin–dihydropyrimidine hybrids ( 8 ) − (Figure )…”

Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis

“…Some authors predicted [15] coumarins and hydroxycoumarins which contain minimum one hydroxyl functional group have shown antioxidant activity, since they are hydrogen/electron donors to free radicals [16]. Coumarin derivatives exhibit vast biological activities such as, anti-tuberculosis, anti-microbial, anti-cancer, anti-inflammatory and anti-HIV agents [17, 18, 19, 20, 21, 22, 23, 24]. They are also key components of flavoring agent for a diverse set of food, such as soft drinks, yogurt, muffins etc.…”