ISSN: 2161-0444
Medicinal Chemistry
Open Access
Like us on:
OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.
Open Access Journals gaining more Readers and Citations
700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers
This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)Useful Links
Recommended Journals
Related Subjects
Additional Info
Loading Please wait..
Green synthesis of medicinally important novel DHPMS derivatives and their related DFT, docking, antimicrobial and SAR studies
3rd International Conference on Medicinal Chemistry & Computer Aided Drug Designing
December 08-10, 2014 DoubleTree by Hilton Hotel San Francisco Airport, USA
| Kalpana C Maheria, Manojkumar K Rathod and Suban K Sahoo |
| Accepted Abstracts: Med Chem |
| DOI: 10.4172/2161-0444.S1.013 |
| Abstract |
| A facile green synthetic approach was utilized to synthesize medicinally important heterocyclic novel dihydropyrimidinones (DHPMs) derivatives using zeolite H-BEA as solid acid catalyst, through Biginelli three component reaction (MCRs). This green approach offer high yields within short reaction time. Further, in silico proficiency of Lipinski?s, DFT, docking and SAR study have been carried out in order to get target drug like novel DHPMs molecules with desired activity. Computer aided drug designing (CADD), Mol Soft and Osiris tool were used to predict DHPMs 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 DHPMs structural geometries, molecular stability and electronics structures using Schrodinger Jaguar tool. Moreover, the grid-based flexible docking (using Glide tool) method was utilized to determine voltage-dependent calcium channel blockers receptor-DHPMs ligand interactions and molecular surface bonding. The synthesized products were characterized by FT-IR and 1H NMR spectral analysis and then evaluated for their bioassay against bacterial and fungal strains. SAR study correlates DHPMs structure to a property, effect and biological activity. In this paper, theoretical (CADD) and experimental (MCRs and Catalysis) approaches were brought together in order to synthesize target DHPMs molecules with desired activity which in turn will serve as vital aid for future researchers working in the area of medicinal chemistry. |
 PDF |  HTML |
Relevant Topics
- Analytical chemistry
- Anti-Allergic
- Anti-Infective Agents in Medicinal Chemistry
- Anticancer Agents in Medicinal Chemistry
- Applied Chemistry
- Applied Medicinal Chemistry
- Biochemistry
- Bioorganic Medicinal Chemistry
- Chemical Biology
- Chemical Biology of Molecules
- Chemical Pharmacology
- Chemical Reactions
- Chemical Sciences
- Cryochemistry
- Electrochemistry
- Environmental Analytical Chemistry
- Geochemistry
- Histochemistry
- Immunohistochemistry
- Industrial Chemistry
- Material Chemistry
- Medicinal Biochemistry
- Medicinal Chemical Research
- Medicinal Companies and Market Analysis
- Medicinal Organic Chemistry
- Nanochemistry
- Pharmaceutical chemistry
- Photochemistry
- Physical Chemistry
- Phytochemicals
- Polymer Chemistry
- Supramolecular Chemistry
- Synthetic Medicinal Chemistry
