TOXICITY AND MOLECULAR DOCKING STUDIES OF TETRAHYDROQUINOLINES AGAINST MICROBIAL, CANCER, RETINOIC ACID RECEPTOR, INFLAMMATORY, CHOLESTEROL ESTER TRANSFERASES AND PARASITIC PROTEIN RECEPTORSTOXICITY AND MOLECULAR DOCKING STUDIES OF TETRAHYDROQUINOLINES AG

Objective: Synthesis of 2-methoxy-4-(3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)phenol derivatives (4a-i) and to study their inhibitory effects towards inflammatory, cancer, retinoic acid, cholesterol esterase, parasitic and microbial proteins.Methods: Various 2-methoxy-4-(3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)Phenols (4a-i) were synthesized via imino Diels-Alder reaction and were characterized by IR, 1H NMR, 13C NMR mass spectroscopy and elemental analysis. All 2-methoxy-4-(3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)Phenols (4a-i) and six FDA approved reference drugs were docked against inflammatory, cancer, retinoic acid, cholesterol esterase, parasitic and microbial protein receptors. The results were studied and validated based on molecular docking analysis.Results: The compounds 4a-i were less toxic on internal tissues and show no side effect. The compounds 4c and 4f were strongly interacts with active site amino acids Arg210, His107, Ala197, Thr198 and Arg195 of binding energy -16.0728 kcal/mol and -56.5169 kcal/mol with inflammatory protein. The compound 4b and 4f binds with cancer protein shows -8.99845 and -5.70191 kcal/mol of energy exhibits significant anticancer properties. The compound 4a shows 7 hydrogen bonds with retinoic acid protein within amino acids Asn1185 and Arg1309 with energy of -47.423 kcal/mol than remaining compounds. The compound 4g shows 5 hydrogen bonds of energy -32.9844 kcal/mol with amino acids Arg155, Gln124, Leu122 with microbial protein. The compounds 4c, 4d and 4i exhibits 3 hydrogen bonds within active site amino acids of energy -8.29829 kcal/mol, against cholesterol esterase protein. Nevertheless, all 4a-i compounds shows strong interaction with parasitic protein.Conclusion: The compounds 4a, 4c, 4f, 4g, and 4h were identified as multifunctional lead compounds hence; these compounds could be considered as potential lead molecules in the future study. Â

Data from: Female density-dependent chemical warfare underlies fitness effects of group sex ratio in flour beetles

In animals, skewed sex ratios can affect individual fitness either via sexual (e.g. intersexual conflict or intrasexual mate competition) or non-sexual interactions (e.g. sex-specific resource competition). Because most analyses of sex ratio focus on sexual interactions, the relative importance of sexual vs. non-sexual mechanisms remains unclear. We tested both mechanisms in the flour beetle Tribolium castaneum, where male-biased sex ratios increase female fitness relative to unbiased or female-biased groups. Although flour beetles show both sexual and non-sexual (resource) competition, we found that sexual interactions did not explain female fitness. Instead, female fecundity was dramatically reduced even after a brief exposure to flour conditioned by other females. Earlier studies suggested that secreted toxins might mediate density-dependent population growth in flour beetles. We identified ethyl- and methyl- benzoquinone (EBQ and MBQ; “quinones”), as components of adult stink glands that regulate female fecundity. In female-biased groups (i.e. at high female density), females upregulated quinones and suppressed each other’s reproduction. In male-biased groups, low female density and associated low quinone levels maximized fecundity. Thus, females appear to use quinones as weapons for female-specific, density-dependent interference competition. Our results underscore the importance of non-sexual interference competition that may often underlie the fitness consequences of skewed sex ratios

KhanEtal_AmNat_AllDataFiles

Raw data for all figures in the manuscrip