Molecular docking analysis of phytochemicals from ethanolic extract of crescentia cujete with the auto inhibited parkin catalytic domain.

The autoinhibited Parkin catalytic domain (PDB ID: 4BM9) receptor has been described to have a role in the ubiquitination of α-syn in Parkinson's disease. Therefore, it is of interest to discuss the molecular docking analysis data of phytochemicals from ethanolic extract of Crescentia cujete with the auto inhibited Parkin catalytic domain. We report the docking features of the phytochemical named 1, 2-Ethanediamine, N-(2-aminoethyl) with the target protein for further consideration towards the design and development of anti-Parkinson agents.

In Silico Drug Design of Thiolactomycin Derivatives Against Mtb-KasA Enzyme to Inhibit Multidrug Resistance of Mycobacterium tuberculosis.

Tuberculosis (TB) is a leading infectious disease which kills a huge number of people every year over a decade, caused by Mycobacterium tuberculosis. The conventional drugs in the market are no longer effective due to the increasing mycobacterial resistance to antibiotics. Hence, the need of finding efficient drugs to solve this multiple drug resistant factor is becoming an immediate issue. The first-line drugs in current practice for the treatment of TB emphasize on mycolic acid, which protects the bacteria from an immune response generated by the host. A key enzyme involved in this mycolic acid biosynthesis, M. tuberculosis beta-ketoacyl-ACP synthase A (MTB-KasA) is a prime candidate in this study. Thiolactomycin is a natural product inhibitor has shown good inhibitory activity against MTB-KasA. Hence, several thiolactomycin derivatives collected from the literature were taken for absorption, distribution, metabolism, excretion and toxicity prediction, molecular docking and molecular dynamics simulation studies with MTB-KasA. The in silico drug designing methods used in this study suggests that the thiolactomycin derivatives are having a better binding activity against MTB-KasA and among them the ligand C14 is identified as a promising lead molecule to inhibit multidrug resistance of tuberculosis by showing a long time binding activity.

In vivo anti-diabetic, antioxidant and molecular docking studies of 1, 2, 8-trihydroxy-6-methoxy xanthone and 1, 2-dihydroxy-6-methoxyxanthone-8-O-ß-D-xylopyranosyl isolated from Swertia corymbosa.

1, 2, 8-trihydroxy-6-methoxy xanthone (1) and 1, 2- dihydroxy-6-methoxyxanthone-8-O-ß-d-xylopyranosyl (2) are the main constituents of petroleum ether and ethyl acetate extracts from Swertia corymbosa (Gentinaceae), a medicinal plant used in Indian traditional system for the treatment of diabetes. The present study was designed to examine the antihypoglycemic, antihyperlipidemic and antioxidant effect of compounds 1 and 2 in streptozotocin (STZ) induced diabetic rats. Diabetes was induced in male Wistar rats by a single intraperitoneal injection of STZ (60 mg/kg b.w.). The isolated compounds 1 and 2 at a dose of 50 mg/kg b.w., produced the maximum fall of 83% in the blood glucose level in the diabetic rats after 3h of the treatment. The administration of 1 and 2 (50 mg/kgb.w.) daily for 28 days in STZ induced diabetic rats, resulted in a significant decrease in blood glucose, glycosylated hemoglobin, SGOT, SGPT, ALP serum urea and creatinine with significant rise in plasma insulin level. Test compounds 1 and 2 showed antihyperlipidemic activities as evidenced by significant decrease in serum TC, TG, LDL-C, VLDL-C levels coupled together with elevation of HDL-C level in diabetic treated rats when compared to diabetic untreated rats, indicate the protective role against liver and kidney damage. The results of histopathology also showed 1 and 2 protected tissues (pancreas, liver and kidney) against peroxidation damage and maintained tissue integrity. Further, the molecular interaction study of the ligands 1, 2 and glibenclamide with various diabetes mellitus related protein targets like glucokinase (PDB ID: 1V4S), fructose-1, 6-bisphosphatase 1 (PDB ID: 2JJK) 11-ß-hydroxysteroid dehydrogenase (PDB ID: 2BEL) and modeled protein sulfonylurea receptor 1 (SUR1) showed that ligand 1 and 2 possess binding affinity with all protein targets except for 2BEL target protein for which ligand 1 has no interaction. The ligand pose with 2BEL and SUR1 protein target of ligand 2 gave the best binding conformation. Hence 1 and 2 can be considered for developing into a potent antidiabetic drug.

Mycorrhiza in sedges--an overview.

Most terrestrial plants associate with root-colonising mycorrhizal fungi, which improve the fitness of both the fungal and plant associates. However, exceptions exist both between and within plant families failing to associate with mycorrhizal fungi or in the incidence and the extent of mycotrophy, which may vary greatly. Sedges are important pioneers of disturbed habitats and often dominate vegetations like wetlands, and arctic and alpine vegetations, in which the mycorrhizal inoculum in the soil is often low or absent. In the past, sedges were often designated as non-mycorrhizal, though limited reports indicated the presence of mycorrhiza in certain species. However, studies since 1987 indicate widespread occurrence of mycorrhiza in sedges. Based on these studies, the family Cyperaceae is no longer a non-mycorrhizal family, but the mycorrhizal status of its members is greatly influenced by environmental conditions. Further, sedges appear to have several morphological adaptations to thrive in the absence of mycorrhizal association. Though mycorrhizal associations have been noted in many sedge species, the ecological role of this association is not well documented and no clear generalisation can be drawn. Similarly, the role of mycorrhizal fungi on sedge growth and nutrient uptake or non-nutritional benefits has yet to be fully ascertained. This paper reviews the current information available on the incidence of mycorrhiza in sedges and the possible reasons for low mycotrophy observed in this family.

Nutrient cycling in a tropical seasonal rain forest of Xishuangbanna, Southwest China. Part 1: tree species: nutrient distribution and uptake.

Tropical rain forests are characterized by large numbers of the species with diverse growth habits. The objective of the present study was to determine the distribution of nutrient content in the major trees of the tropical rain forests in Xishuangbanna. This will improve the understanding of the nutrient losses from such sites that result from harvesting and flow of nutrients within the ecosystem and lead to the development of effective and rational forest management strategies. Based on the results in this study, the distribution of nutrients among biomass components of trees varied: The ordering of major elements concentrations was K > N > Mg > Ca > P in branch, stem and root tissues but was N > K > Mg > Ca > P in leaves. The maximum amount of all nutrients per ha occurred in the stems followed by branches, roots and leaves. Of the total uptake of 6167.7 kg ha(-1) of all nutrients, the contribution of various nutrients was found to be N (2010.6 t ha(-1)), P (196.3 t ha(-1)), K (2123.8 kg ha(-1)), Ca (832 kg ha(-1)) and Mg (1005 kg ha(-1)). However, comparing the nutrient uptake of other tropical and sub tropical forests, the results indicated that rates for the Xishuangbanna forests were 20-35% lower than previously reported values.

Bioproductivity and nutrient cycling in bamboo and acacia plantation forests.

This study mainly aimed to investigate the bioproductivity and nutrient cycling processes in plantation forests of bamboo and acacia. In India, multipurpose tree (MPT) species are extensively planted to meet the increasing demand for fuel and industrial wood. The bioproductivity studies of bamboo showed that the total biomass increased with age (2.2 t/ha/year 1) up to six years (297.8 t/ha/year 6) and then decreased (15.6 t/ha/year 10). With acacia, the total biomass increased from 1.8 t/ha/(year 1) to 5.0 t/ha/ (year 3) and 10.9 t/ha/(year 5). In general the biomass increased with increase of diameter and height. Nutrient cycling in the plantation on an annual basis was worked out. A complete harvest of bamboo in 6 years removes 2341 kg/ha of nitrogen, 22 kg/ha of phosphorus, 2,653 kg/ha, of potassium, 1,211 kg/ha of calcium and 1,356 kg/ha of magnesium. A total harvest of above ground biomass of acacia in 3 years removes (kg/ha) 91.74 N, 2.53 P, 73.41 K, 110.45 Ca, 14.06 Mg, and in 4 years removes (kg/ha) 227.47 N, 7.34 P, 181.04 K, 284.15 Ca, and 38.89 Mg.