Applications of in silico methods to analyze the toxicity and estrogen receptor-mediated properties of plant-derived phytochemicals.

A myriad of phytochemicals may have potential to lead toxicity and endocrine disruption effects by interfering with nuclear hormone receptors. In this examination, the toxicity and estrogen receptor-binding abilities of a set of 2826 phytochemicals were evaluated. The endpoints mutagenicity, carcinogenicity (both CAESAR and ISS models), developmental toxicity, skin sensitization and estrogen receptor relative binding affinity (ER_RBA) were studied using the VEGA QSAR modeling package. Alongside the predictions, models were providing possible information for applicability domains and most similar compounds as similarity sets from their training sets. This information was subjected to perform the clustering and classification of chemicals using Self-Organizing Maps. The identified clusters and their respective indicators were considered as potential hotspot structures for the specified data set analysis. Molecular screening interpretations of models were exhibited accurate predictions. Moreover, the indication sets were defined significant clusters and cluster indicators with probable prediction labels (precision). Accordingly, developed QSAR models showed good predictive abilities and robustness, which observed from applicability domains, representation spaces, clustering and classification schemes. Furthermore, the designed new path could be useful as a valuable approach to determine toxicity levels of phytochemicals and other environmental pollutants and protect the human health.

Studies on antimicrobial efficacy of medicinal tuberous shrub Talinum cuneifolium.

Talinum cuneifolium (Vahl.) Willd. an erect shrub with subterranian tuber (Portulacaceae) is endowed with wide range of pharmacological activities. The antimicrobial efficacy of the plant is evaluated against three bacteria and two fungal species by disc diffusion method. Preliminary phytochemical screening was carried out among hexane, ethylacetate, methanolic extracts of leaf and roottuber for different potent chemicals. The leaf methanolic extract of T cuneifolium showed maximum effect on the growth of Proteus (25.8 mm) followed by Bacillus (24.62 mm) and E. coli (19.42 mm). The tuberous methanolic extract of T cuneifolium showed maximum effect on growth of Proteus (28.15 mm) followed by Bacillus (26.88 mm) and E. coli (24.51 mm). The Gram-positive bacterial strains (Bacillus) were more susceptible to the extractions of T cuneifolium as compared to Gram-negative bacteria (E. coli, Pseudomonas aeruginosa, Proteus vulgaris and Klebsiella pneumoneia). The antifungal activity of selected plant leaf and root tubers exhibit pronounced activity against Candida albicans rather than Aspergillus niger. These studies showed that the methanolic extracts of T cuneifolium plant parts were certainly much better and powerful. This may be due to the better solubility of the action components in organic solvent.

Ethnobotanical survey of plants used to treat asthma in Andhra Pradesh, India.

Tribal and non-tribal inhabitants of Andhra Pradesh used nearly 80 medicinal plants for treating asthma. The tribal people have a strong faith and belief in the traditional health care system, through herbal treatment. Plant species are generally used along with other materials and plant products in different combinations to effective cure. Herbalists reported that plant ingredients are used in the form of dry powder, decoction and juice in the treatment of asthma. The knowledge of most asthma drug plants used in herbal treatment and their method of using them are confined to some of the local healers. Some of the plants mentioned by local healers however, are extensively used nationally in the preparation of Ayurvedic medicines including those to treat asthma. Clinical and pharmacological data are available for these plants. Most of the plants used for treating asthma by local herbalists appear not to have been recorded hitherto.