The present study was conducted to test for in vivo Brine Shrimp Lethality Assay (BSLA) of the Aqueous and ethanolic extracts of Annona reticulata with Allium fistolisum and Brassica oleraceaeand correlate cytotoxicity results with known pharmacological activities of the plants. Cytotoxicity was evaluated in terms of LC50 (lethality concentration). Ten nauplii were added into three replicates of each concentration of the plant extract. After 24 h the surviving brine shrimp larvae were counted and LC50 was assessed. Results showed that the extracts of Annona reticulata with Allium fistolisumand Brassica oleraceaewere potent against the brine shrimp when compared alone with combined extracts. It indicated that bioactive components are present in these plants that could be accounted for its pharmacological effects. Thus, the results support the uses of these plant species in traditional medicine.
Background: Cancer is becoming an increasingly important risk factor in the global burden of diseases. Cancer chemotherapy has been one of the major medical advances in the last few decades. However, the drugs used for this therapy have a narrow therapeutic index, and often the responses produced are only just palliative as well as unpredictable. In contrast, targeted therapy that has been introduced in recent years is directed against cancer-specific molecules and signaling pathways and thus has more limited nonspecific toxicities. This paper reviews about 2D, 3D QSAR and G-QSAR on a set of thiazolyl-pyrazole derivatives to identify novel and potent EGFR-TK inhibitors and elucidate structural properties required for anti-EGFR-TK activity. The 2D QSAR studies were carried out by multiple regression method and the r2 and q2 values were found to be 0.81 and 0.72 respectively. The 3D QSAR was performed using method k-nearest neighbour–molecular field analysis (kNN-MFA) with simulated annealing variable selection approach; a leave-one-out crossvalidated correlation coefficient q2 = 0.87 and non-cross-validated correlation coefficient r2 = 0.93. G-QSAR was performed by generation of multiple models of the same training and test sets as used in 2D & 3D QSAR by multiple linear regressions. G-QSAR was carried out using template based fragmentation scheme and forward variable selection method. Docking analysis was performed further and is suggestive of binding affinity with standard compounds. Methods: Molecular modeling, structure based drug design and docking analysis studies were performed. Initially molecular modeling studies (2D, 3D and G-QSAR) were performed on a set of thiazolyl-pyrazole derivatives. A lead nucleus was predicted and with the help of CombiLib; VLife MDS and Lipinski's screen 12 novel chemical entities (NCE’s) were designed. They were then subjected to docking and were further filtered. Five compounds having potent EGFR activity having drug like pharmacokinetic profiles were predicted. Results: The lead nucleus required for anti-EGFR activity could be predicted. The NCE's could then be designed, docked. Erlotinib was considered as the docking standard and it was found that these compounds mimic Erlotinib and bind to the same amino acids pocket region of active binding site of Erlotinib in PTK receptors with much higher affinities involving more number of H bonds with shorter measure, higher number of good vdW bonds and lesser number of/number bad/ugly vdW interactions. Thus they show enzyme specificity and are developed as selective PTK inhibitors having potent anticancer activity. These compounds with potent anticancer (anti-EGFR activity) along with their Absorption, Distribution, Metabolism, and Excretion (ADME) properties by means of Qikprop 2.2 Tool of, Schrodinger, could be successfully predicted having drug like pharmacokinetic profile. Conclusion: Molecular modeling is one of the most successful and rapidly growing techniques. It not only helps in predicting target specific compounds but also helps in reducing cost of valuable chemicals. In this study successful use of molecular modeling was done and caution was taken to avoid any chance co-relation. Optimization was done to obtain lead nucleus and after designing NCE's and docking five compounds with potent anti-EGFR activity and drug like pharmacokinetic profile could be successfully predicted.
Medicinal plants are in rich source of antimicrobial agents. The present study was carriedout to evaluate the antimicrobial effect of plants from the same species as Brassica oleceraceanamely, white cabbage and red cabbage. The preliminary phytochemical analysis was tested byusing a different extract of these plants for the presence of various secondary metabolites likealkaloids, flavonoids, tannins, saponins, terpenoids, glycosides, steroids, carbohydrates, and aminoacids. The in vitro antimicrobial activity was screened against clinical isolates viz gram positivebacteria Staphylococcus aureus, Streptococcus pyogenes, gram negative bacteria Escherichia coli,Pseudomonas aeruginosa. Extracts found significant inhibition against all the pathogens.
This study investigated photochemical investigation and extraction methods with polar and non polar solvent which could be used to compare and see the effectiveness of each on the chromosomes. The FTIR spectrum shows the presence of acetogenins in the extracts. Cytotoxic effects were studied using Allium cepa root tip cells. Eight onion bulbs were subjected to the treatment groups which were made using water, methanol, Ethyl acetate, acetone and hexane extracts of A. reticulata. Three different concentrations from each extraction solvent were used. The A. cepa root tip cells were subjected for 24 h to three different leaf extractions after left to grow in water. Concentrations of 0.1, 1, 10 and 50 mg/L were used. All studied concentrations of A. reticulata methanol extract showed significant (p ˂ 0.05) drop in the mean mitotic index when compared with control Overall decrease in MI was contributed to by all the stages of mitosis.
Innovation development and standardization of Novel Herbal Formulation(September 24-25, 2018)In silico docking and drug design of herbal ligands for anticancer property
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