Targeting Streptomyces-Derived Streptenol Derivatives against Gynecological Cancer Target PIK3CA: An In Silico Approach.

Streptomyces is amongst the most amenable genera for biotechnological applications, and it is extensively used as a scaffold for drug development. One of the most effective therapeutic applications in the treatment of cancer is targeted therapy. Small molecule therapy is one of them, and it has gotten a lot of attention recently. Streptomyces derived compounds namely streptenols A, C, and F-I and streptazolin were subjected for ADMET property assessment. Our computational studies based on molecular docking effectively displayed the synergistic effect of streptomyces-derived compounds on the gynecological cancer target PIK3CA. These compounds were observed with the highest docking scores as well as promising intermolecular interaction stability throughout the molecular dynamic simulation. Molecular docking and molecular dynamic modeling techniques were utilized to investigate the binding mode stability of drugs using a pharmacophore scaffold, as well as physicochemical and pharmacokinetic aspects linked to alpelisib. With a root mean square fluctuation of the protein backbone of less than 0.7 nm, they demonstrated a steady binding mode in the target binding pocket. They have also prompted hydrogen bonding throughout the simulations, implying that the chemicals have firmly occupied the active site. A comprehensive study showed that streptenol D, streptenol E, streptenol C, streptenol G, streptenol F, and streptenol B can be considered as lead compounds for PIK3CA-based inhibitor design. To warrant the treatment efficacy against cancer, comprehensive computational research based on proposed chemicals must be assessed through in vitro studies.

Development of nanobiomaterial for wound healing based on silver nanoparticles loaded on chitosan hydrogel.

The objective of this study was to develop nanobiomaterial containing silver nanoparticles (AgNPs) for wound healing. AgNPs were synthesized using Saussurea lappa (Sl) aqueous root extract as reducing agent and were characterized physico-chemically using UV-vis spectral studies, XRD, FESEM, TEM, FTIR spectral analysis, DLS, and TG-DSC. Sl AgNPs production was optimized using response surface methodology. The cytotoxicity of Sl AgNPs was assessed by THP1 cell lines, which showed that Sl AgNPs were nontoxic with an IC50 of 151.10 µg/mL at 24 h. For topical application, Sl AgNPs was loaded on chitosan hydrogel was characterized through spreadability, in vitro release, antibacterial activity, swelling behavior, and SEM analysis. The chitosan Sl AgNPs hydrogel was subjected acute dermal toxicity test using Wistar albino rats and was found to be nontoxic. The excisional wound model was created along with Pseudomonas aeruginosa as an inoculant in Wistar albino rats. The chitosan Sl AgNPs hydrogel treated rats showed excellent wound healing qualities, lower bacterial counts, and enhanced production of connective tissues. Our findings strongly suggest that AgNPs synthesized from Saussurea lappa root extract loaded on chitosan hydrogel possibly applied for the remedy of infectious wounds at a concentration of 0.1 mg of Sl AgNPs/g of hydrogel. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s13205-021-03030-0.