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Ananas comosus (L) Merrill fruit is used for the treatment of urinary tract infection, and jaundice. The fruit has anti-obesity activity and used as antihelmithic agent for the treatment of intestinal worms. The Ananas comosus fruit contains many phytoconstituents; among them are Ferulic acid and Chlorogenic acid exhibiting various pharmacological activities. To ensure the content of uniformity of biomarkers, the aim of the present study was to develop a HPTLC method for simultaneous estimation of Ferulic acid and Chlorogenic acid in Ananas comosus fruit. The standard marker compounds and four different fruit extract solutions were applied on the HPTLC plate (20 mm × 10 mm dimension) with the help of Linomat 5 applicator by using WinCATS software. The solvent system toluene, ethyl acetate, methanol, formic acid (4:4:1.2:0.8, v/v) was used as mobile phase. The λmax was set for Ferulic acid and Chlorogenic acid at 280 nm. The calibration range of Ferulic acid was found to be 300-900 ng/ml, with the linear equation Y= 338.485+6.238x with coefficient of determinants (r2) of 0.992 and the calibration range of Chlorogenic acid was found to be 200-800 ng/spot with the linear equation Y= 282.512+ 4.932x with coefficient of determinants (r2) of 0.996. The limit of detection and limit of quantification were found to be for Ferulic acid 14.35, 40.12 ng/spot, and 10.26, 29.51 ng/spot, for Chlorogenic acid respectively. The relative standard deviation of precision and recovery of Ferulic acid and Chlorogenic acid was < 2.0%. The developed method was accurate, specific, precise and reproducible. Keywords: Ananas comosus cultivars, Ferulic acid, Chlorogenic acid, Simultaneous estimation, Method Validation.

Owing to the advancements in nanotechnology, there is effective localization of active payloads in the form of self-assembled nanocarriers, which attracted the interest of the researchers. Several literature reports mentioned that nanocarrier-based drug delivery approaches such as self-assembled delivery systems provide higher efficacy with minimal side effects. The clustering of atoms or molecules forms these self-assembled nanosystems with different interaction types such as hydrogen bonding, electrostatic, hydrophobic, and van der Waal interactions. Some of these systems include surfactant-based, polymer-based nanoparticles, polymersomes, pluronic lecithin organogels, mixed self-assemblies, and phospholipid-based self-assemblies. These nanosystems are employed in delivering the drug payloads to the target site, along with some biomedical applications like regenerative biology, tissue engineering, and vaccines. Thus it is expected that the next generation self-assembled supramolecular systems could improve human healthcare with the latest technologies and significant clinical outcomes. This chapter emphasizes various techniques used for the fabrication of self-assembled nanocarriers, their classification and clinical applications. This also focuses on the chemistry behind the formation of supramolecular structure and their enhancing role in biomedical applications.

Vegetables, fruits, and spices have a pivotal role in maintaining the metabolism and have diversified health welfares. The food products have medicinal values (Medifood) and benefitted prophylactically and simultaneously; health experts recommend them due to their synergistic effect on medicine. Therefore, research thrusts have developed medifood and counted in the field of pharma-nutrition. Type II diabetes mellitus is one of the foremost progressive metabolic disorders, which affects several millions of people around the globe due to ignorance of food habits. Improvement in lifestyle and intake of habitual food may improve the diabetic conditions. In the present study, we performed in silico studies of fatty acids on the free fatty acid 1 receptor to identify fatty acids readily available in daily food content. Additionally, molecular dynamic simulation study to recognize the dynamic behavior of protein-fatty acid complex. The in silico results suggest that 04 fatty acids may be promising in which behenic acid was most potential and showed binding energy of - 110.857 kcal/mol. The stability of the protein-ligand complex is confirm in simulation studies, with occupancy of 95% and 84%, respectively. Behenic acid is present in different parts of the Moringa tree and may serve as medifood in type II diabetes mellitus.

Due to changed lifestyle and other reasons, diabetes has become one of the common metabolic disorder of the globe. Numerous therapeutic options are available, which controls the plasma glucose levels. However, most of the drugs are associated with some undesired side effects. Owing to the side effects and enhanced understanding of the phytochemicals, an inclination toward herbal medicine is seen in the population. These herbal products are also associated with concerns like poor aqueous solubility, compromised permeation, and a low degree of bioavailability. So, the emergence of nanotechnology in the herbal medicine is required to nullify the associated concerns of conventional antidiabetic drugs. The present review aims to compile the literature available for the nano-interventions pertinent to herbal products for diabetes management.

With the aim of developing multidrug solids through a tuned crystal engineering approach, we have selected two antiurinary infective drugs, namely, nitrofurantoin (NF) and trimethoprim (TMP) and isolated eight binary drug-drug solid solvates along with a nonsolvated cocrystal. Crystal structure analyses were performed for eight of these solids and rationalized in terms of known supramolecular synthons formed by pyrimidine, imide, and amine functionalities. Notably, the TMP-NF anhydrous cocrystal and its ionic cocrystal hydrate exhibit enhanced equilibrium solubilities compared to pure NF or the simple NF hydrate. Furthermore, the ionic cocrystal hydrate exhibits greater antibacterial activity against the Gram-negative bacteria, E. coli, compared to the parent TMP and NF at the lowest concentration of 3.9 μg/mL. This study indicates initial pathways using the cocrystal methodology that would help to eventually arrive at an antiurinary cocrystal with optimal properties.

The ATP-dependent bacterial MurD enzyme catalyses the formation of the peptide bond between cytoplasmic intermediate UDP-N-acetylmuramoyl-L-alanine and D-glutamic acid. This is essential for bacterial cell wall peptidoglycan synthesis in both Gram-positive and Gram-negative bacteria. MurD is recognized as an important target for the development of new antibacterial agents. In the present study we prepared the 3D-stucture of the catalytic pocket of the Staphylococcus aureus MurD enzyme by homology modelling. Extra-precision docking, binding free energy calculation by the MM-GBSA approach and a 40 ns molecular dynamics (MD) simulation of 2-thioxothiazolidin-4-one based inhibitor $1 was carried out to elucidate its inhibition potential for the S. aureus MurD enzyme. Molecular docking results showed that Lys19, Gly147, Tyr148, Lys328, Thr330 and Phe431 residues are responsible for the inhibitor-protein complex stabilization. Binding free energy calculation revealed electrostatic solvation and van der Waals energy components as major contributors for the inhibitor binding. The inhibitor-modelled S. aureus protein complex had a stable conformation in response to the atomic flexibility and interaction, when subjected to MD simulation at 40 ns in aqueous solution. We designed some molecules as potent inhibitors of S. aureus MurD, and to validate the stability of the designed molecule D1-modelled protein complex we performed a 20 ns MD simulation. Results obtained from this study can be utilized for the design of potent S. aureus MurD inhibitors.

Type II diabetes mellitus (T2DM) is a major metabolic disorder resulting in increase in morbidity and mortality rates. Dipeptidyl peptidase-IV (DPP-IV) is a validated and interesting target to develop novel and effective antihyperglycemic agents. Herein, we performed virtual screening of Prestwick library of natural compounds using structure based hierarchical methods to screen the potent compounds. Further, evaluations of dock score along with protein ligand interactions studies were performed. The topmost ranked compound was processed for molecular dynamic simulations (MD simulation) studies for 20 ns. In addition, in silico ADME analysis for the selection of compounds having admissible pharmacokinetic properties has been studied. The results of molecular docking suggest that compound Butirosin showed maximum dock score and binding energy as compared to the standard Alogliptin. MD simulation of DPP-IV-Alogliptin and DPP-IV-Butirosin complexes showed good stability throughout the simulation and RMSD values were 2.25 A and 2.6 A respectively. Thus, Butirosin could be the potential drug candidate for DPP-IV inhibition.

Chickpea is the seed of the chickpea plant, Cicer arietinum, which belongs to the family fabaceae. It offers a range of health benefits which includes lowering cholesterol, regulating blood sugar level, aiding weight loss, improving heart health, fighting nervous system disorders, improving digestion and relieving constipation. So in this article we emphasis on the different solvent extraction and its chemical tests have been shown from the seeds collected from local market of Siliguri district of West Bengal, India.