Authors : Yakub Pasha, M Pharm; Aleemunissa Begum; Fabiha Fathima; Golla Bhavagna; N. Shinu Priya; Senapathi Harsha Vardhan

Volume/Issue : Volume 9 - 2024, Issue 7 - July

Google Scholar : https://tinyurl.com/k7uxku9t

Scribd : https://tinyurl.com/yck7y4az

DOI : https://doi.org/10.38124/ijisrt/IJISRT24JUL1770

Abstract : Upon utilizing the Prediction Activity Spectra of Substances (PASS) program, computer-aided predictions were conducted to assess the antioxidant activities. Compounds 1, 3, 4, and 5 underwent evaluation using 1,1-diphenyl-2- picrylhydrazyl (DPPH) and lipid peroxidation assays to confirm the predictions obtained from the PASS program. Notably, compounds 3 and 5 exhibited higher inhibition of the DPPH stable free radical at 10 M compared to the widely recognized standard antioxidant, butylated hydroxytoluene (BHT). Of particular interest, compound 5 demonstrated significant in vitro inhibition of Fe-induced lipid peroxidation in the lipid-rich medium of essential egg yolk (83.99%, IC50 16.07 ± 3.51 μM/mL) in contrast to α-tocopherol (α-ΤΟΗ, 84.6%, IC50 5.6 ± 1.09 μM/mL). Furthermore, the drug-likeness of these BHT analogues was assessed based on Lipinski's "rule-of-five" (RO5), revealing a violation of one parameter (Log P > 5) despite their solubility in protic solvents. The predictive polar surface area (PSA) and absorption percentage (% ABS) data imply a potential capacity for cell membrane penetration. Consequently, these new multipotent antioxidants (MPAOs) hold promise as effective agents for addressing oxidative stress and lipid peroxidation processes.

Keywords : Butylated Hydroxy Toluene, Drug-Likeness Properties, DPPH, Lipid Peroxidation, Multipotent Antioxidant, Rule-of- Five, PASS and Activity Prediction, Thiosemicarbazide, 1,2,4-Triazole, 1,3,4-Thiadiazole.

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