Analysis of stereoelectronic properties, mechanism of action and pharmacophore of synthetic indolo[2,1-b]quinazoline-6,12-dione derivatives in relation to antileishmanial activity using quantum chemical, cyclic voltammetry and 3-D-QSAR CATALYST procedures

Antileishmanial Activity of a Series of N2,N4-Disubstituted Quinazoline-2,4-diamines

“…18 Bhattacharjee et al ( B ), Ram et al ( C ), and Shakya and Gupta et al ( D and E ) have also tested quinazolines as antileishmanials. 19−22 This class of compounds has been reported as being dihydrofolate reductase (DHFR) inhibitors, although another mechanism of action may be involved with Leishmania . 18,23 Recently, we tested a small library of structurally diverse compounds, originally designed as potential anticancer probes, for antileishmanial activity in a L. mexicana axenic amastigote assay.…”

Quercetin and Tryptanthrin

“…During this study, five FAP patients received 480 mg of curcumin and 20 mg of quercetin orally three times a day. After a period of 6 months, a decrease in the number and size of polyps was 56 observed in all five patients who were administered with curcumin and quercetin. The mean percent decrease in the number and size of polyps from baseline was 60.4% (P < 0.05) and 50.9% (P < 0.05), respectively.…”

“…3). A large number of tryptanthrin derivatives, natural and chemically synthesized, have been observed as having a different functional group in the sixth position of a common indolo[2,1-b]quinazoline core [55][56][57][58]. The name of the compound is derived from the observation that it is metabolically synthesized by the yeast Candida lipolytica, when cultured in L-tryptophan-containing medium [59].…”

“…Tryptanthrin and its derivatives display a wide array of intriguing pharmacological activities such as antimicrobial [59,66,72,[75][76][77][78][79], antiprotozoal [56,80], antiparasitic [81], anti-inflammatory [65,[82][83][84][85], and antioxidant [86]. Its efficacy against allergy [87], intestinal disorders [88], and inflammatory bowel disease [89] has also been reported.…”

Synthesis, antimicrobial activities and computational studies of some oxazolone derivatives

“…Quantum chemical calculations and QSAR analysis have proven useful in correlating biological activities with molecular structures of compounds (Alam et al, 2011;GonzAlez-Diaz and Prado-Prado, 2008;Bhattacharjee et al, 2002;Lipinski et al, 2001;Alcaraz et al, 2000). Studies that employ quantum chemical studies to unravel the relative strengths of a series of drugs or active chemical agents against certain microorganisms and relating such to some quantum chemical parameters are found in literature (Alam et al, 2011;Bhattacharjee et al, 2002;Alcaraz et al, 2000). In continuation of our search for biologically active heterocycles, we herein report the evaluation of the antimicrobial properties and quantum mechanical studies of some oxazolones.…”