Research Paper on Actinomycins Isolated from a Novel Treptomyces Smyrnaeus Strain UKAQ 23 were evaluated for their antileishmani activity in vitro and in silico.

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Title: Actinomycins Isolated from a Novel Treptomyces Smyrnaeus Strain UKAQ 23 were evaluated for their antileishmani activity in vitro and in silico.

Abstract: Numerous Leishmania species cause leishmaniasis, a Neglected Tropical Parasitic Disease (NTPD), which is spread by the bite of the sandfly (Lutzomyia longipalpis). Due to the parasite’s development of resistance to the antileishmanial medications currently in use, it is now important to look for new antileishmanial agents. The goal of the current study was to examine the antileishmanial activity of two newly discovered actinomycins, X2 and D, produced by the novel Streptomyces smyrnaeus strain UKAQ 23 in vitro and in silico. Actinomycin X2 had half-maximal effective concentrations (EC50) of 2.10 0.10 g/mL and 0.10 0.0 g/mL and selectivity indices (SI) of 0.048 and 1, respectively, while actinomycin D had EC50s of 1.90 0.10 g/mL and 0.10 0.0 g/mL and SI values of 0.052 and 1, respectively. This antileishmania Squalene synthase was found to be the most advantageous antileishmanial target protein for both actinomycins X2 and D, whereas xanthine phosphoribosyltransferase was the least advantageous target protein, according to molecular docking studies. The two actinomycins remained stable in the binding pocket throughout the simulations, according to the molecular dynamics simulations. Actinomycin X2 is a better binder than actinomycin D, according to the MMPBSA (Molecular Mechanics Poisson-Boltzmann Surface Area) binding energy calculations. In conclusion, the Streptomyces smyrnaeus strain UKAQ 23 actinomycins X2 and D are both promising antileishmanial drug candidates and have a high likelihood of being used to treat the currently drug-resistant eishmaniasis.

Keywords: actinomycin X2; actinomycin D; in silico molecular modeling; Kala-azar; leishmaniasis; molecular dynamics simulation; Streptomyces smyrnaeus; strain UKAQ_23

Paper Quality: SCOPUS / Web of Science Level Research Paper

Subject: Antibiotics

Writer Experience: 20+ Years

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