Antioxidant and anti-sickling activity of glucal-based triazoles compounds – An in vitro and in silico study

Biological Evaluation of 4-(1H-triazol-1-yl)benzoic Acid Hybrids as Antioxidant Agents: In Vitro Screening and DFT Study

“…Triazole benzoic acid hybrids (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14) were described in our previous work as predicted in Scheme 1 and Table 1. Parents 1 and 2 resulted from the reaction of N-cyanoimido(dithio)carbonates with 4-hydrazinobenzoic acid.…”

“…Chemical transformations on the structure of 1 produced 6 and 9 with good reducing activity (0.77 ± 0.014 and 0.58 ± 0.013) in relation to other products, however, lower than the parent 1. The 2-hydroxy-5-bromo derivative (7) recorded the lowest scavenging ability of 0.16 ± 0.012. On the other hand, by substitution on compound 2, a slight increase in the reducing activity (0.272 ± 0.012 and 0.310 ± 0.010) was recorded by 10 and 12, respectively.…”

“…The most stable geometries have been selected for preparation of the radical input geometries and further investigation (Figure S1). Three or fewer initial proposals per compound (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14), have been examined for this purpose.…”

“…Most drugs and biologically relevant compounds possess triazole nucleus privileged precise in their pharmacological purposes [1][2][3]. Triazole is a biologically imperious platform known to be related with significant pharmacological activities such as antidepressant [4], anticonvulsant [5,6], antioxidant [7,8], antimicrobial [9,10], antiviral [11][12][13], analgesic [14], anti-inflammatory [14,15], hypoglycemic [16], anticancer [17,18], antihistamine [19,20], pesticidal-insecticidal [21,22], CNS depressant [23], and antihypertensive properties [24,25]. The significant therapeutic values of triazoles combined with their efficient synthetic procedures made them very interesting units for biological investigation.…”