Synergistic effects of Momordica charantia, Nigella sativa, and Anethum graveolens on metabolic syndrome targets: In vitro enzyme inhibition and in silico analyses.

Momordica charantia, Nigella sativa, and Anethum graveolens are established medicinal plants possessing noted anti-diabetic and anti-obesity properties. However, the molecular mechanisms underscoring their inhibitory effects on pancreatic lipase, α-glucosidase, and HMG-CoA reductase remain unexplored. This study aimed to elucidate the efficacy of various NS, MC, and AG blends in modulating the enzymatic activity of pancreatic lipase, HMG-CoA reductase, and a-glucosidase, utilizing an integrative approach combining in vitro assessments and molecular modeling techniques. A factorial design matrix generated eight distinct concentration combinations of NS, MC, and AG, subsequently subjected to in vitro enzyme inhibition assays. Molecular docking analyses using AutoDock Vina, molecular dynamics simulations, MMPBSA calculations, and principal component analysis, were executed with Gromacs to discern the interaction dynamics between the compounds and target enzymes. A formulation comprising NS:MC:AG at a 215:50:35 µg/mL ratio yielded significant inhibition of pancreatic lipase (IC50: 74.26 ± 4.27 µg/mL). Moreover, a concentration combination of 215:80:35 µg/mL effectively inhibited both α-glucosidase (IC50: 66.09 ± 3.98 µg/mL) and HMGCR (IC50: 129.03 µg/mL). Notably, MC-derived compounds exhibited superior binding affinity towards all three enzymes, compared to their reference molecules, with diosgenin, Momordicoside I, and diosgenin displaying binding affinities of -11.0, -8.8, and -7.9 kcal/mol with active site residues of pancreatic lipase, α-glucosidase, and HMGCR, respectively. Further, 100 ns molecular dynamics simulations revealed the formation and stabilization of non-bonded interactions between the compounds and the enzymes' active site residues. Through a synergistic application of in vitro and molecular modeling methodologies, this study substantiated the potent inhibitory activity of the NS:MC:AG blend (at a ratio of 215:80:35 µg/mL) and specific MC compounds against pancreatic lipase, α-glucosidase, and HMGCR. These findings provide invaluable insights into the molecular underpinnings of these medicinal plants' anti-diabetic and anti-obesity effects and may guide future therapeutic development.

Synergistic effect of silver nitrate and coconut water on shoot differentiation and plant regeneration from cultured cotyledons of Capsicum annuum L.

Chili pepper (Capsicum annuum L.) ranks among the most important vegetable crop belonging to the family Solanaceae that is consumed both as vegetable and spice throughout the world. C. annuum, as crop, in order to meet the target yield, demands improved variety that could overcome environmental challenges viz., biotic and abiotic stress. Cultivar improvement essentially requires an efficient in vitro regeneration protocol. In the present study, we investigated the influence of silver nitrate (AgNO3) and coconut water, individually as well in combination, on in vitro shoot elongation and plant regeneration from cotyledon explants of C. annuum cv G-4. Shoot buds were induced on shoot bud induction medium supplemented with either 44.38 µM 6-benzylaminopurine (BAP) or 9.0 µM thidiazuron (TDZ) along with 5.77 µM gibberellic acid (GA3) and 14.7 µM phenyl acetic acid (PAA). Elongation of shoot buds was obtained on elongation medium containing 8.87 µM BA or 0.45 µM TDZ, 5.77 µM GA3 and 14.7 µM PAA followed by rooting in 9.8 µM indole-3-butyric acid (IBA). All the media were supplemented with 30 µM AgNO3 and/or coconut water (10% v/v). The presence of coconut water in the elongation media enhanced the regeneration of well developed shoots from differentiating explants on TDZ media while AgNO3 resulted in enhanced production of rooted shoots with greater influence on emerging shoots from BAP media upon transfer to rooting media. There was synergistic response with further enhancement of elongated shoots/elongated rooted shoots on the combined use of coconut water and AgNO3. The elongation media produced significantly higher total shoots when AgNO3 was used synergistically with coconut water (59.0%) as against AgNO3 alone (38.0%). While in rooting media, there was significantly higher production of elongated rooted shoots when coconut water was used synergistically with AgNO3 (47.2%) as against the coconut water alone (14.4%).

Surface-Modified Cobalt Ferrite Nanoparticles for Rapid Capture, Detection, and Removal of Pathogens: a Potential Material for Water Purification.

Enteric infections resulting from the consumption of contaminated drinking water, inadequate supply of water for personal hygiene, and poor sanitation take a heavy toll worldwide, and developing countries are the major sufferers. Consumption of microbiologically contaminated water leads to diseases such as amoebiasis, cholera, shigellosis, typhoid, and viral infections leading to gastroenteritis and hepatitis B. The present investigation deals with the development of effective method to capture and eliminate microbial contamination of water and improve the quality of water and thus decreasing the contaminated waterborne infections. Over the last decade, numerous biomedical applications have emerged for magnetic nanoparticles (MNPs) specifically iron oxide nanoparticles. For the first time, we have explored functionalized cobalt ferrite nanoparticles (NPs) for capture and detection of pathogens. The captured bacterial were separated by using simple magnet. To begin with, the prepared NPs were confirmed for biocompatibility study and further used for their ability to detect the bacteria in solution. For this, standard bacterial concentrations were prepared and used to confirm the ability of these particles to capture and detect the bacteria. The effect of particle concentration, time, and pH has been studied, and the respective results have been discussed. It is observed that the presence of amine group on the surface of NPs shows nonspecific affinity and capability to capture Escherichia coli and Staphylococcus aureus. The possible underlying mechanism is discussed in the present manuscript. Based upon this, the present material can be considered for large-scale bacteria capture in water purification application.

One pot three components microwave assisted and conventional synthesis of new 3-(4-chloro-2-hydroxyphenyl)-2-(substituted) thiazolidin-4-one as antimicrobial agents.

A one-pot, three-component, microwave assisted and conventional synthesis of new 3-(4-chloro-2-hydroxyphenyl)-2-(substituted) thiazolidin-4-one (4a-n) was carried out by using N,N-dimethylformamide as a solvent with high product yield. Among these synthesized compounds (4f, 4g, 4l and 4m) were found to be a broad spectrum molecule active against all bacterial and fungus strains tested, except fungus Aspergillus niger. Amongst the compounds (4g, 4l and 4m) were found to be more potent than respective standard drugs used in the experiment against Candida albicans, Staphylococcus aureus and Aspergillus flavus, respectively. All synthesized compounds were also tested for their cytotoxic activity against HeLa and MCF-7 cell lines by the sulforhodamine B (SRB) assay. This study shows that all compounds were non-cytotoxic in nature, and confirmed their antimicrobial specificity apart from any general cytotoxicity.

A novel amalgamation of 1,2,3-triazoles, piperidines and thieno pyridine rings and evaluation of their antifungal activity.

It is the first report of the novel amalgamation of 1,2,3-triazoles, piperidines, thieno pyridine rings and evaluation of their antifungal activity. The synthesized compounds showed interesting moderate to good antifungal activity, wherein they were able to discriminate between the two species Aspergillus flavus and Aspergillus niger of the same genus. In addition, the main highlight of this series is the sensitivity of the fungal strain Cryptococcus neoformans to the compounds having p-chlorobenzoyl (9h), methane sulfonyl (9i) and p-methylbenzene sulfonyl (9j) attached to the piperazine nitrogen.

Green synthesis of tetrahydropyrimidine analogues and evaluation of their antimicrobial activity.

It is the first report of 1,3,4,5-tetrasubstituted 1,2,3,6-tetrahydropyrimidines derivatives, catalyzed by ZrOCl2. The mild reaction conditions, excellent yields in shorter reaction time and evasion of cumbersome workup procedures make this process economically lucrative for industrial application. The novelty and highlight of the present method is the promising antibacterial and antifungal activity shown by compounds (4a, 4b, 4e, 4f, 4h and 4l) compared to standard.

Fetal alcohol syndrome related knowledge assessment and comparison in New Jersey health professional groups.

BACKGROUND There is a need to educate health professionals in regard to Fetal Alcohol Syndrome and Fetal Alcohol Spectrum Disorders across many health and allied health fields. OBJECTIVE Conduct evaluations of educational programs designed to assess knowledge, attitudes and beliefs in relation to Fetal Alcohol Spectrum Disorders (FASD) among health and allied health professionals in the northeastern United States. METHODS FASD related educational efforts were carried out and evaluated in New Jersey for various health-related professional groups over a four-month period using a common set of materials. Pre and post-test evaluation comprised 20 questions on FASD recognition, diagnosis, treatment, and prevention. Groups surveyed included nurses, social workers, counselors, therapists, clinicians and allied health professionals comprising physician assistants, dieticians, physical therapists, occupational therapists. RESULTS Results showed that a majority of health care professionals in New Jersey possess basic knowledge related to FASD and the effects of alcohol on a child in utero. They also had significant awareness of the importance of early diagnosis and the importance of reducing secondary disabilities. The study did however reveal areas for improvement in some professional groups. CONCLUSIONS FASD is the most important preventable cause of mental retardation. Health professionals attending workshops typically had a good basic understanding of FASD, though with some weaknesses specific to their discipline. Educational efforts in regard to FASD should be sensitive to the various health professionals engaged in preventing, diagnosing and treating FASD.

AhpF can be dissected into two functional units: tandem repeats of two thioredoxin-like folds in the N-terminus mediate electron transfer from the thioredoxin reductase-like C-terminus to AhpC.

AhpF, the flavin-containing component of the Salmonella typhimurium alkyl hydroperoxide reductase system, catalyzes the NADH-dependent reduction of an active-site disulfide bond in the other component, AhpC, which in turn reduces hydroperoxide substrates. The amino acid sequence of the C-terminus of AhpF is 35% identical to that of thioredoxin reductase (TrR) from Escherichia coli. AhpF contains an additional 200-residue N-terminal domain possessing a second redox-active disulfide center also required for AhpC reduction. Our studies indicate that this N-terminus contains a tandem repeat of two thioredoxin (Tr)-like folds, the second of which contains the disulfide redox center. Structural and catalytic properties of independently expressed fragments of AhpF corresponding to the TrR-like C-terminus (F[208-521]) and the 2Tr-like N-terminal domain (F[1-202]) have been addressed. Enzymatic assays, reductive titrations, and circular dichroism studies of the fragments indicate that each folds properly and retains many functional properties. Electron transfer between F[208-521] and F[1-202] is, however, relatively slow (4 x 10(4) M(-)(1) s(-)(1) at 25 degrees C) and nonsaturable up to 100 microM F[1-202]. TrR is nearly as efficient at F[1-202] reduction as is F[208-521], although neither the latter fragment, nor intact AhpF, can reduce Tr. An engineered mutant AhpC substrate with a fluorophore attached via a disulfide bond has been used to demonstrate that only F[1-202], and not F[208-521], is capable of electron transfer to AhpC, thereby establishing the direct role this N-terminal domain plays in mediating electron transfer between the TrR-like part of AhpF and AhpC.

A statistical analysis of side-chain conformations in proteins: comparison with ECEPP predictions.

A comparison of the statistical distributions of side-chain conformations of 17 amino acids (Gly, Ala, and Pro excluded), observed in 63 nonhomologous globular proteins (covering 10,832 residues), is made with similar distributions calculated from the low-energy conformational states for the same amino acids (blocked with acetyl and N-methylamide groups at the N- and C-termini, respectively) obtained by Vásquez et al. [(1983), Macromolecules 16, 1043-1049] using the ECEPP/2 force field. Those residues (i) with linear side chains (Arg, Lys, Met, Cys, Ser), or those that are unbranched through the gamma-carbon atom (Glu, Gln) show good agreement, whereas (ii) those with side chains that are branched at C beta or C gamma show poor agreement with ECEPP calculations. A possible explanation for this is shown to be the greater tendency for side-chain atoms in class (ii) to interact with the backbone and/or adjacent side chains. Accordingly, ECEPP/3 calculations, carried out after elongating the backbone chain of the model peptide unit (by adding three Ala residues on each side of the central residue, and then blocking the termini as before), result in distributions that are often closer to the observed side-chain distributions. The implications of these results for the relative importance of short-range versus long-range interactions in determining protein structure are discussed.