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• W4363651945 abstract "Six novel leucine-glycine dipeptide sulphonamide deriavtives were synthesized and characterized via 1HNMR, 13CNMR, FTIR and HRMS spectroscopic techniques. The in silico studies revealed better interactions of compounds with target protein residues and a higher dock results when compared with standard drugs. The in vivo antimalarial study, hematological study, liver and kidney function test were carried out on the synthesized compounds. Compounds 13a-13f inhibited the parasite by 57.14 – 73.68% on day 4 of exposure after treatment. Compound 13c showed the highest value of inhibition of 73.68% against the parasite when compared with the standard drug (Artemether) with 68.8% inhibition. The in silico antimicrobial study showed compound 13a, 13c, and 13e with binding abilities of 9.4 kcal/mol for S. aureus, and 7.5 kcal/mol for Asp. Niger respectively while compound 13d had binding energies of 9.7 and 9.4 (kcal/mol) for B. subtilis and E. Coli in comparison with standard drug (ciprofloxacin). The in vitro analysis revealed that compounds 13c had the lowest minimum inhibitory concentration (MIC) values ranging from (0.5 – 0.7) mg/mL for all the test microorganisms in comparison with the standard drugs (Ciprofloxacin and Fluconazole) with MIC values of 0.5 respectively. The synthesized compounds exhibited promising in-silico, in-vitro and in-vivo pharmacological properties." @default.
• W4363651945 created "2023-04-11" @default.
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• W4363651945 date "2023-08-01" @default.
• W4363651945 modified "2023-09-27" @default.
• W4363651945 title "Synthesis, in silico studies and investigations on antimicrobial, antimalarial activities of p-toluenesulphonamoyl ‘Leu-Gly’ dipeptide carboxamide derivatives" @default.
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• W4363651945 doi "https://doi.org/10.1016/j.molstruc.2023.135529" @default.
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