Molecular docking studies of natural and synthetic compounds against human secretory PLA2 in therapeutic intervention of inflammatory diseases and analysis of their pharmacokinetic properties

Literature survey reveals that there are several natural and synthetic anti-inflammatory compounds reported till date. As a therapeutic drug target, PLA2 inhibition is preferred over other anti-inflammatory drug targets. The pro-inflammatory effects of group X sPLA2 are acquired from multiple pathways. This study aims to identify the best anti-inflammatory compound among 22 compounds reported in literature using in silico approach. The compound ligands are subjected to docking against the target protein human sPLA2 [PDB ID: 5G3M] at the active site using AutoDock 4.2.6. Based on the ? binding free energy and hydrogen bonding interactions, it was observed that ten compounds fit at the active site. Out of these, compound 1 (14-deoxyandrographolide) was selected as the best compound. Absorption, distribution, metabolism, and excretion (ADME) properties of the ligands are analyzed using pkCSM software available online. Compound 1 exhibited the best conformational fit when compared to the co-crystal inhibitor 4-Benzylbenzamide.

Periodontal treatment needs in diabetic and non-diabetic individuals: A case-control study.

Aim: Diabetes mellitus is a chronic metabolic disorder of the carbohydrate, protein and fat metabolism, resulting in increased blood glucose levels. Various complications of diabetes have been described with periodontitis being added as the sixth complication of diabetes mellitus. The aim of this study was to assess periodontal status and treatment needs (TN) in diabetic patients and to compare the findings between diabetic and non-diabetic individuals using community periodontal index (CPI). Materials and Methods: We evaluated the periodontal status and periodontal TN in diabetic and non-diabetic individuals in Guwahati, Assam. A total of 459 (223 diabetic and 236 non-diabetic) individuals were assessed. A person was considered to be diabetic when his blood glucose levels were above 140 mg/dl under fasting condition and 200 mg/dl 2 hours postprandially. Periodontal status was assessed using CPI. Results: Periodontal destruction was found to be increased in diabetic individuals, with periodontal destruction increasing with increased blood glucose levels. The necessity of complex periodontal treatment also increased with increasing blood glucose levels. Conclusions: Individuals with diabetes are more prone to periodontal destruction, and hence, regular periodontal screening and treatment is essential in these individuals.

Lens proteome map and -crystallin profile of the catfish Rita rita.

Crystallins are a diverse group of proteins that constitute nearly 90% of the total soluble proteins of the vertebrate eye lens and these tightly packed crystallins are responsible for transparency of the lens. These proteins have been studied in different model and non-model species for understanding the modifications they undergo with ageing that lead to cataract, a disease of protein aggregation. In the present investigation, we studied the lens crystallin profile of the tropical freshwater catfish Rita rita. Profiles of lens crystallins were analyzed and crystallin proteome maps of Rita rita were generated for the first time. A-crystallins, member of the -crystallin family, which are molecular chaperons and play crucial role in maintaining lens transparency were identified by 1-and 2-D immunoblot analysis with anti-A-crystallin antibody. Two protein bands of 19-20 kDa were identified as A-crystallins on 1-D immunoblots and these bands separated into 10 discrete spots on 2-D immunoblot. However, anti-B-crystallin and antiphospho-B-crystallin antibodies were not able to detect any immunoreactive bands on 1- and 2-D immunoblots, indicating B-crystallin was either absent or present in extremely low concentration in Rita rita lens. Thus, Rita rita -crystallins are more like that of the catfish Clarias batrachus and the mammal kangaroo in its A- and B-crystallin content (contain low amount from 5-9% of aB-crystallin) and unlike the dogfish, zebrafish, human, bovine and mouse -crystallins (contain higher amount of B-crystallin from 25% in mouse and bovine to 85% in dogfish). Results of the present study can be the baseline information for stimulating further investigation on Rita rita lens crystallins for comparative lens proteomics. Comparing and contrasting the -crystallins of the dogfish and Rita rita may provide valuable information on the functional attributes of A- and B-isoforms, as they are at the two extremes in terms of A-and B-crystallin content.

Influence of sublethal ammonia toxicity on some physiological parameters of Labeo rohita (Hamilton-Buchanan) fingerlings.

Fingerlings of Labeo rohita subjected to sublethal unionized ammonia (0.132mg/l) for 30 days exhibited significant changes. Increase in haemoglobin, haematocrit, plasma cortisol, plasma glucose, plasma cholesterol and plasma lactic acid levels whereas, decrease in plasma chloride, liver and muscle glycogen, hepatosomatic index and DNA/RNA ratio of muscles with stable plasma protein was observed. Metabolic recovery was not observed within 30 days of exposure.

Impact of water quality on the stress physiology of cultured Labeo rohita (Hamilton-Buchanan).

Investigation was conducted for 12 months in two water bodies, S1 with optimum water quality and S2 receiving sewage water. The water quality parameters were assessed in relation to the impact on the stress sensitive physiological parameters of fish Labeo rohita. While optimum levels of transparency, dissolved oxygen, unionised ammonia, alkalinity and hardness in S1 reflected in minimum variation of the physiological parameters of L. rohita but suboptimal levels of DO (nil-18.0 mg/l) and CO2 (nil-16.0 mg/l) observed diurnally and unionised ammonia (0.11-0.42 mg/l) found throughout the experimental period, resulted in significant variation in plasma cortisol (90.0-377.0 ng/ml), cholesterol (89.6-285.0 mg/dl) and condition factor (0.7-1.3) in L. rohita. The results are of significance for fish aquatic habitat management.

Effect of sublethal levels of nitrite on some blood parameters of juvenile Labeo rohita (Hamilton-buchanan).

Juveniles of L. rohita were exposed to sublethal levels of nitrite (0.02, 0.1 and 0.4 mg/l) for 2, 24, 48 and 96 hr. The time of exposure at individual concentrations of nitrite did not show any significant difference in haemoglobin, cortisol, chloride and lactic acid. Haematocrit showed significant reduction with increasing concentration of nitrite irrespective of duration of exposure. Fishes exposed to 0.4 mg/l nitrite showed significantly high levels of glucose beyond 2 hr. The mean erythrocytic fragility of fishes exposed to the 3 concentrations of nitrite for 3 exposure periods showed significant higher sensitivity to osmotic stress. The results suggest decrease in haematocrit and cell wall strength of erythrocytes creating stress to fish.

Sublethal temperature stress in juvenile Labeo rohita (Ham-Buch.) and Rita rita (Ham.): some physiological changes.

Juveniles of fish L. rohita and R. rita subjected to a rapid (5 min) sublethal temperature increase from 28 to 35 degrees C showed significant increase in cortisol and decrease in interrenal ascorbic acid. Hypercholesterolemia, hyperglycemia and hyperlactemia were also evident accompanied by increased blood haemoglobin and haematocrit and stable protein levels. Compensatory responses were initiated within 72 hr in both the fishes. R. rita recovered more quickly indicating it to be more resistant to the heat stress than L. rohita. Hence fishes subjected to sublethal temperature stress should be given a metabolic recovery period of 72 hr prior to further stress being applied.