Evaluation of Terpenoids as Anti-cancer by Using in silico Approaches | Chapter 4 | Current Overview on Pharmaceutical Science Vol. 8

 Cancer medically popular as a malignant abnormal growth in animate being is a complex disease occurring on account of a progressive accretion of genetic aberrations and epigenetic changes that allow escape from normal basic and environmental controls. Current study identify lead compounds terpenoids against malignancy using In silico models. In this study, labeled terpenoid compounds and retrieved makeup using PubChem database, and intend protein structure to a degree Cyclin- Dependent kinase-6, Insulin growth determinant were downloaded from PDB database. Compounds and proteins were subjected to berthing studies using PyRx form for determined binding closeness score, active home interaction on cancer mean proteins and interactions were visualized utilizing biovia visualizer. Pharmacokinetic parameters and toxicity of picked compounds measured by using SWISS ADME, pKCSM table. Study results were showed that Salvinorin A demonstrated hydrogen bonding on alive sites of Arginine A:82, Lysine A:86, hydrophobic interaction on alive sites of Leucine A:34, Cysteine A:85 of Cyclin-Dependent kinase-6. similarly, Ginkgolide A showed hydrogen sticking on active sites Arginine A:999:HN of Insulin development factor- 1 Receptor Kinase. Current research confirmed that phytoactives Salvinorin-A and Ginkgolide-A were potential terpenoids lead molecule, in the cancer cure.

Author(s) Details:

B. Venkataramana,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

R. Niranjan Kumar,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

Y. Sai Lakshmi,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

M. Praisy Gladys,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

M. Tharuna Bharathi,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

C. Mounika,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

C. Vyshnavi,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

P. Praveen Kumar,
Department of Pharmacology, Santhiram College of Pharmacy, Nandyal, Andhra Pradesh, India.

Please see the link here: https://stm.bookpi.org/COPS-V8/article/view/9814