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Silico Modelling of New C-12 Substituted-14-Deoxy-Andrographolide Derivatives as Potent Anticancer Leads

Publication Type : Journal Article

Publisher : Journal of Pharmacology & Clinical Toxicology

Source :

Url :

Campus : Bengaluru

School : School of Engineering

Center : Amrita Innovation & Research

Department : Chemistry

Verified : Yes

Year : 2017

Abstract : Many reports have shown that Andrographolide and its derivatives possess notable anticancer activity. In this study, we present the molecular docking studies of some newly synthesized C-12 substituted-14-deoxy-andrographolide derivatives. This helped to evaluate the probable targets of action responsible for the observed in vitro anti-cancer activity. This work delineates the role of the interacting amino acids residues in the active site. Consequently, the structure activity relationship (SAR) helps in drug design by demonstrating the effect of the C-12 substituent on the target site drug interaction. Finally, the compliance to Lipinski’s parameters demonstrates their potential as promising leads in further anti-cancer drug development.

Cite this Research Publication : Kar, Swayamsiddha & Manohar, Sai & Kandanur, Sai Giridhar Sarma & Nanduri, Srinivas & Belliraj, Siva Kumar & Golakoti, Nageswara. (2017). In silico Modeling of New C-12 Substituted-14-Deoxy-Andrographolide Derivatives as Potent Anticancer Leads. Journal of Pharmacology & Clinical Toxicology. 5. 1083.

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