IN SILICO DOCKING ANALYSIS OF THE COMPOUNDS OF ORTHOSIPHON STAMINEUS FOR THE ANTICANCER ACTIVITY
Journal Title: International Research Journal of Pharmacy (IRJP) - Year 2016, Vol 7, Issue 4
Abstract
The aim of the present study is to investigate the inhibitory activity of the compounds of Orthosiphon stamineus on cancer by molecular docking studies and to analyse the ADME/T properties of the compounds. Compound 1- Norstaminolactone A,Compound 2- Norstaminone A, Compound 3- Orthosiphol B, Compound 4- Orthosiphol Q, Compound 5- Orthosiphonone A were isolated from the leaves of Orthosiphon stamineus. Compounds 1 to 5 were used for docking on PTK6 (protein tyrosine kinase 6), Oncogene protein (H- Ras GTPase). Glide docking uses the assumption of a rigid receptor, although scaling of Vander Waals radii of nonpolar atoms, which decreases penalties for close contacts, can be used to model a slight “give” in the receptor and/or ligand. Docking studies of designed compounds were carried out using GLIDE (Grid-based Ligand Docking with Energetics) module version 5.9. Schrödinger, LLC, New York, NY, 2013. The software package running on multi-processor Linux PC. GLIDE has previously been validated & applied successfully to predict the binding orientation of many ligands. The docking results showed that the leaves of Orthosiphon stamineus are potential for anticancer activity by inhibiting tyrosine kinase protein and oncogene protein. Norstaminolactone A, Norstaminone A, Orthosiphol B and Orthosiphonone A have shown excellent anticancer activity with better ADMET parameters.
Authors and Affiliations
Maheswari C. , Sajna V, Venkatnarayanan R.
Keywords
Related Articles
- EP ID EP112372
- DOI 10.7897/2230-8407.07433
- Views 99
- Downloads 0
CRONOBACTER SAKAZAKII: AN EMERGING CONTAMINANT IN PEDIATRIC INFANT MILK FORMULA
Cronobacter sakazakii (C. sakazakii) previously known as Enterobacter sakazakii is a motile, Gram-negative, non-sporing yellow pigmented rod, which belongs to lethal Enterobacteriaceae family. C. sakazakii is ubiquitousl...
REVIEW ON ALBIZIA LEBBECK A POTENT HERBAL DRUG
Herbs and herbal drugs have created interest among the people by the clinically proven effects like immunomodulatios, adaptogenic and antimutagenic. Also the overuse of synthetic drug, which results in higher incidence o...
STUDIES ON COMPRESSION AND DRUG RELEASE CHARACTERISTICS OF XANTHIUM GUM PELLETS OF DIFFERENT COMPOSITIONS
The filler used in preparation of pellets affects physical properties, compression and drug release rates. The present investigation was aimed to develop a sustained drug delivery system for a short half life drug, Simva...
PHYTOCHEMICAL AND PHARMACOLOGICAL PROFILE OF LAGENARIA SICERARIA: AN OVERVIEW
Cucurbitaceae family is major source of medicinal agents since ancient time. Various plants parts including fruits of this family have been established for their pharmacological potential. Lagenaria siceraria (Molina) st...
STUDIES ON EFFECT OF RELATIVE HUMIDITY ON FUNGAL GROWTH AND DETERIORATION OF TOTAL ALKALOIDS IN FRESH AND MARKET ROOTS OF DRUG URARIA PICTA DC.
In the present study, 26 fungi have been isolated from the fresh and market roots of drug Uraria picta Dc. Fungi F. solani with 31.5% observed in highest percentage incidence from genuine samples but in the market sample...