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, antiinflammatory,
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 was 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.
A. S. Sekhar, .T.S, S., Baskar, V., and Asha Asokan Manakadan, “In Silico Approach of Apoptosis Inducing Ability of Different Indole Derivatives by Interaction with CASPASE9”, Int. J. Pharm. Sci. Rev. , vol. 40, no. 2, pp. 92-102 , 2016.