In silico structure prediction and validation of homosapienand#946;-1 adrenergic receptor via threading based homology modelling and its docking studies

Medicinal Chemistry

ISSN: 2161-0444

Open Access

In silico structure prediction and validation of homosapienβ-1 adrenergic receptor via threading based homology modelling and its docking studies

2nd International Conference on Medicinal Chemistry & Computer Aided Drug Designing

October 15-17, 2013 Hampton Inn Tropicana, Las Vegas, NV, USA

Maria Saeed, SobiaAhsanHalim and Zaheer-ul-Haq

Accepted Abstracts: Med chem

Abstract :

The use of rapidly generated In silico protein models provide a basis of structure-based drug design, analysis of protein function, interactions, and rational design of proteins with increased stability or novel functions. In addition, protein modelling is the only way to obtain structural information if experimental techniques fail. Many proteins like membrane embedded receptors are too large for NMR analysis and extremely difficult to be crystallized by X-ray diffraction. Hence homology modelling is the only way to predict the structure and function of these types of proteins. G-Protein coupled receptors which constitute the largest family of membrane receptors and mediate nearly 80% of signal transduction across cellular boundaries are challenging drug target due to their architecture and strong tendency of aggregation. Threading based homology modelling was applied to determine the structure and function of hsGPCRs. hsβADR1 is expressed primarily in cardiac tissue, where it regulates blood pressure and heart rate in responses to stress maintain blood pressure, autonomic control of heart, function myocardial hypertrophy , smooth muscle tone, heart failure or in other cardiovascular diseases, hormonal release and actions regulation of cell contraction and migration,carcinomas, asthma, mental disorder or inhibitory modulation of synaptic neurotransmission, regulation of carbohydrate and lipid metabolism, endocrinological disorder, inflammatory disorder, immunological disorder and sensory perceptions or cell growth and differentiation. This study will provide us clear understanding of GPCRs structure and its interactions with several agonists thus providing the remedial solutions of highly focuses cardiovascular and other diseases caused by malfunctioning of this protein.

Biography :

Maria Saeed has completed M.Sc in Biochemistry in 2010 at the age of 22 years from Jinnah University for Women, Karachi, Pakistan. Currently, she is Research Officer at Computational Chemistry unit under the supervision of Dr. Zaheer Ul Haq Qasmi and Co-supervision with Dr. ReazUddin. She has participated in poster presentation in 13 th international symposium on Natural Product Chemistry, 22 nd -25 th November 2012, International Center for Chemical and Biological Sciences (ICCBS) at the University of Karachi. She is working on multiple projects, wherein 2 are in publication process and two are in write up and running process.

Google Scholar citation report
Citations: 6627

Medicinal Chemistry received 6627 citations as per Google Scholar report

Medicinal Chemistry peer review process verified at publons

Indexed In

arrow_upward arrow_upward