Spectroscopic analysis dft calculations molecular docking and molecular dynamics studies on dihydropyridine compounds

Abstract

A crucial part of organic and medicinal chemistry is the design and newlinesynthesis of compounds with therapeutic benefits. Dihydropyridine newlinecompounds have piqued the interest of many scientists due to their intriguing newlineproperties. Compounds in this class have a wide range of biological newlineproperties. Dihydropyridines are extensively used to treat hypertension as newlinecalcium blockers. Amlodipine, nifedipine and felodipine are commonly newlinerecommended for hypertension, which are derivatives of dihydropyridine. newlineDespite the fact that there are multiple approved drugs for calcium channel newlineblockers, there is a need for the development of a new drug that is cheaper newlineand more efficient in treating hypertension. They should also be better than newlinethe current drugs. Drug design requires structural information about the newlinecompound which reduces the cost and time. newlineQuantum chemical calculations will define molecular and newlinebiological descriptors of the compound. Quantum chemical investigations of newlinethe structure of synthesized compounds would enhance experimental research newlineand minimize experimental technique limitations. As a result of the newlineadvancement of quantum mechanics methods, several approaches such as ab newlineinitio, semi-empirical, Hatree-Fock, and DFT methods have been introduced newline