Drug Designing: Open Access
Open Access

Design, homology modeling, docking studies and microwave-assisted synthesis of some novel triazolothienopyrimidines as possible antagonosts of A3 adenosine receptors

International Conference and Expo on Drug Discovery & Designing

August 11-13, 2015 Frankfurt, Germany

Rajwinder K1 and Raghuram Rao A2

Posters-Accepted Abstracts: Drug Des

Abstract :

Asthma and chronic obstructive pulmonary disease (COPD) are prevalent inflammatory disorders of the lung and are poorly
managed. It has been observed that adenosine plays an important role in mediating bronchial constriction, pulmonary
inflammation and airway remodeling by interacting with its different G-protein coupled receptors: A1, A2A, A2B and A3 ARs and
these receptors are considered to be important targets for new drug development for asthma. In the present work, design, homology
modeling and docking studies (Glide v5 XP, Schrodinger Inc.) were carried out to explore the physicochemical requirements for
selective binding towards A3 AR in order to design and develop new and safe NCEs with fused thienopyrimidine scaffold as possible
A3 antagonists as it is postulated to be a potential target for the treatment of Asthma. Docking studies were carried out by using
the homology model of A3 AR developed (Prime, Schrodinger) using the X-Ray crystal structure of A2A AR (PDB:3EML). All the
designed compounds (thieno[3,2-e]-[1,2,4]triazolo[1,5-c]pyrimidins) were synthesised using the eco-friendly microwave assisted
organic synthesis (MAOS) methods. In vitro AR binding studies as well as in vivo anti-inflammatory studies indicates that some of
the compounds are very potent and the results are in consonance with the in-silico studies.