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Volume 5, Issue 3 (Suppl) Mod Chem Appl, an open access journal
ISSN: 2329-6798 Global Chemistry 2017
September 04-06, 2017
September 04-06, 2017 | London, UK
5th Global Chemistry Congress
An efficient synthesis of annulated novel pyrimido[4,5-d]pyrimidine derivatives: DFT, docking, SAR
and antimicrobial evaluation
Manojkumar K Rathod1 and Mohsin A Jamadar2
1Marwadi University, India
2Adarsh Nivasi Shala, Bharuch, India
Asimple green synthetic approach was developed to synthesize medicinally important heterocyclic novel pyrimido[4,5-d]
pyrimidine(PP) derivatives by using heterogeneous solid acid catalyst, through single reaction chamber. This green
process offer high yields within short reaction time. In silico proficiency of Lipinski’s, DFT, docking and SAR study have been
carried out in order to get target drug like novel PP molecules with desired activity through multidisciplinary green approach.
Computer aided drug designing (CADD), molsoft and Osiris tool were used to predict PP structural parameters of Lipinski rule
which meant to find molecular membrane permeability, oral bioavailability, drug-likeness and drug score. In addition, DFT
method was employed to calculate the PP structural geometries, molecular stability and electronics structures using online
tool. Moreover, the docking method was used to determine voltage-dependent calcium channel blockers receptor-PP ligand
interactions and molecular surface bonding were performed by online tool. The synthesized products were characterized by
FT-IR, 1H NMR and 13C NMR spectral analysis. The synthesized analogs have also been evaluated for their bioassay against
bacterial and fungal strains. SAR study relates features of PP structure to a property, effect and biological activity associated
within moiety. In this summery, theoretical and experimental approaches brought together in order to synthesize target PP
molecules with desired activity will serve as vital aid for future researchers working in the area of drug design.
Biography
Manojkumar K Rathod completed his MSc, MPhil in Bioinformatics; BSc, MSc in Chemistry and; PhD in Chemistry at Sardar Vallabhbhai National Institute of
Technology, Surat, India. At present, he works as an Assistant Professor in Department of Chemistry at Marwadi University, Gujarat, India. He has two years of
experience as an Assistant Professor and Head of Department of Chemistry at S S Agrawal College of Commerce & Management, Gujarat, India. He received
scientific awards by RSC (2014) and BTISNET, DBT (2012). He has published four research paper and presented research article in nine national & international
conference.
Manojkumar K Rathod, Mod Chem Appl 2017, 5:3(Suppl)
DOI: 10.4172/2329-6798-C1-006