Pharmacophore an International Research Journal
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Open Access | Published: 2017 - Issue 6

Design and Analysis of Novel Inhibitors Against the Kras Mutations in Lung Cancer Through Computer Aided Drug Designing Techniques Download PDF


Mariyam Gillani, Ali Farhan, Samawia Rizwan, Hamid Rashid, Anum Munir
Abstract

Background: Lung cancer is known as universal and common disease and the first leading reason for the death of males and females. Worldwide death causes due to lung cancer each year is 1,370,000. There is still deficiency to recognize the effective compounds against KRAS protein involved in Lung Cancer. Methods: In this research, lead compounds against the KRAS mutations were identified through pharmacophore modeling and virtual screening approach and then lead compounds were docked with KRAS protein for confirmation to be used as lead compounds. Results: 50 hits, compounds were obtained by Virtual Screening; Compounds that fulfill all properties of Lipinski rule were docked with protein. Two Compounds were demonstrated ideal docking result. They fit appropriately in the pocket of proteins, demonstrated the soundness, and stability of ligand compounds. Conclusion: On the basis of docking results, it is suggested that these two identified compounds may be able to be used in the treatment of KRAS mutations for Lung Cancer. Novel compounds can be designed on the basis of sharing common feature Pharmacophore model for the treatment of KRAS mutations in Lung cancer.

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Pharmacophore
ISSN: 2229-5402

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