Assessment of Biological Activities and Genomic Changes on Microorganisms, Wheat, and Wilding Arise from Poly(pyrazole)

Abstract

The rapidly growing human population has led to duplicate food production and also reduced product loss. Although the negative effects of synthetic chemicals were recorded, they are still used as agrochemical. The production of non-toxic synthetics makes their use particularly safe. The goal of our research is to evaluate antimicrobial activity of previously synthesized Poly(p-phenylene-1-(2,5-dimethylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxy amide) (poly(PDPPD)) against selected Gram-negative, Gram-positive bacteria, and fungus. In addition, the possible genotoxic effects of the poly(PDPPD) were searched on Triticum vulgare and Amaranthus retroflexus seedlings using Random Amplified Polymorphic DNA (RAPD) marker. The binding affinity and binding energies of the synthesized chemical to B-DNA were simulated with AutoDock Vina. It was observed that the poly(PDPPD) affected most of the organisms in a dose-dependent manner. Pseudomonas aeruginosa was the most affected species in tested bacteria at 500 ppm with 21.5 mm diameters. Similarly, a prominent activity was observed for tested fungi. The poly(PDPPD) decreased root and stem length of the Triticum vulgare and Amaranthus retroflexus seedlings and also reduced the genomic template stability (GTS) value of Triticum vulgare more than Amaranthus retroflexus. The binding energy of poly(PDPPD) was found in range of À 9.1 and À 8.3 kcal/mol for nine residues of B-DNA.

In vitro Genotoxicity and In silico Docking Analyses of the Essential Oils of Thuja orientalis

“…The samples were electrophoresed at 90 V for 30 minutes. The DNA bands were identified using UV light, and the outcomes were assessed using the TOTAL Lab TL 120 software [69] …”

Exploring the Infectious Drug Target Glutathione S-Transferase in Plasmodium falciparum with the Inhibitory Potential of Azadirachta indica Phytocompounds

“…The protein is a monomer, so the additional chain and the excess water molecules are removed. Hydrogen is added, optimized, and minimized; the final protein is prepared for molecular docking [19].…”