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In silico approach of apoptosis induing ability of different indole derivatives by interaction with Caspase9
Indole compounds are well known for their wide variety of pharmacological activities. It is the combination of benzene with pyrrole ring. Compounds having indole group are biologically important. They are used as antimicrobial, antiviral, antituberular, anti-inflammatory, anticancer, ant-diabetic and anticonvulsant agents. Because of the wide variety of biological application, several substituted indole derivatives are studied for their molecular structure, molecular docking and bioavailability. The purpose of the study is to carry out the docking studies of indole derivatives containing electrophilic substitution and nucleophilic substitution with the anticancer target casp9. Fifty compounds were designed and by using Argus lab version 4.0.1. Their docking score was calculated and compared with the standard drug casodex. The drug likeness of compounds were performed using Lipinski rule of five. Result showed that 1,1?-(1H-indole-5,6-diyl)diethanone and 5-(trichloromethyl)-1H-indole and the phytoconstituent curcumin showed better docking score than that of the standard drug casodex. It is concluded that certain indole derivatives show greater affinity with casp9 protein. These compounds may be helpful in studying anticancer targets for casp9 protein.
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Reference£º
Indole alkaloid derivatives as building blocks of natural products from?Bacillus thuringiensis?and?Bacillus velezensis?and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles