Enantioselective synthesis, characterization, molecular docking simulation and ADMET profiling of α-alkylated carbonyl compounds as antimicrobial agents.

All living organisms produce only one enantiomer, so we found that all natural compounds are presented in enantiomerically pure form. Asymmetric synthesis is highly spread in medicinal chemistry because enantiomerically pure drugs are highly applicable. This study initially demonstrated the feasibility of a good idea for the asymmetric synthesis of α-alkylated carbonyl compounds with high enantiomeric purity ranging from 91 to 94% using different quinazolinone derivatives. The structure of all compounds was confirmed via elemental analysis and different spectroscopic data and the enantioselectivity was determined via HPLC using silica gel column. The synthesized compounds' mode of action was investigated using molecular docking against the outer membrane protein A (OMPA) and exo-1,3-beta-glucanase, with interpreting their pharmacokinetics aspects. The results of the antimicrobial effectiveness of these compounds revealed that compound 6a has a broad biocidal activity and this in-vitro study was in line with the in-silico results. Overall, the formulated compound 6a can be employed as antimicrobial agent without any toxicity with high bioavailability in medical applications.

Hyperspectral reflectance and agro-physiological traits for field identification of salt-tolerant wheat genotypes using the genotype by yield*trait biplot technique.

Introduction: Salinity is the abiotic obstacle that diminishes food production globally. Salinization causes by natural conditions, such as climate change, or human activities, e.g., irrigation and derange misuse. To cope with the salinity problem, improve the crop environment or utilize crop/wheat breeding (by phenotyping), specifically in spread field conditions. For example, about 33 % of the cropping area in Egypt is affected by salinity. Methods: Therefore, this study evaluated forty bread wheat genotypes under contrasting salinity field conditions across seasons 2019/20 and 2020/21 at Sakha research station in the north of Egypt. To identify the tolerance genotypes, performing physiological parameters, e.g., Fv/Fm, CCI, Na+, and K+, spectral reflectance indices (SRIs), such as NDVI, MCARI, and SR, and estimated salinity tolerance indices based on grain yield in non-saline soil and saline soil sites over the tested years. These traits (parameters) and grain yield are simultaneously performed for generating GYT biplots. Results: The results presented significant differences (P≤0.01) among the environments, genotypes, and their interaction for grain yield (GY) evaluated in the four environments. And the first season for traits, grain yield (GY), plant height (PH), harvest index (HI), chlorophyll content index (CCI), chlorophyll fluorescence parameter Fv/Fm, normalized difference vegetation index (NDVI) in contrasting salinity environments. Additionally, significant differences were detected among environments, genotypes, and their interaction for grain yield along with spectral reflectance indices (SRIs), e.g., Blue/Green index (BIG2), curvature index (CI), normalized difference vegetation index (NDVI), Modified simple ratio (MSR). Relying on the genotype plus genotype by environment (GGE) approach, genotypes 34 and 1 are the best for salinity sites. Genotypes 1 and 29 are the best from the genotype by stress tolerance indices (GSTI) biplot and genotype 34. Genotype 1 is the best from the genotype by yield*trait (GYT) method with spectral reflectance indices. Discussion: Therefore, we can identify genotype 1 as salinity tolerant based on the results of GSTI and GYT of SRIs and recommend involvement in the salinity breeding program in salt-affected soils. In conclusion, spectral reflectance indices were efficiently identifying genotypic variance.