Cheminformatics and Computational Chemical Biology

Biography

Biography: R C Maurya

Abstract

Nitric oxide was first discovered as a colorless, toxic gas in 1772 by Joseph Priestly. Unfortunately, the tag of toxic gas and air pollutant continued until 1987, when it was shown to actually be produced naturally in the body. By 1987, nitric oxide’s role in regulating blood pressure and relieving various heart ailments became well-established. Very recently, researches revealed that nitric oxide is used by macrophages to kill tumor cells and bacteria. In 1992, nitric oxide was voted ‘Molecule of the Year’. The importance of the molecule became front page news in 1998 when Louis J Ignerro, Robert F Furchgott and Ferid Murad were awarded the Nobel Prize for Medicine and Physiology for identifying nitric oxide as a signaling molecule. The discovery has opened up newer ways of treatment for millions of patients. Endogenously produced by the enzyme NO Synthase (NOS), NO has been found to be an essential component in many physiological processes, such as cytotoxicity, neural-transmission and blood pressure regulation, and dysfunction in NO metabolism has been associated in a number of disease states, such as epilepsy, arthritis, diabetes, hypertension, and septic shock. In particular, the so-called NO donor drugs could have an important therapeutic effect on the treatment of many cardiovascular diseases such as angina pectoris (chest pain) and hypertension. The organic nitrate and nitrite esters, including nitroglycerin, amyl nitrite, isosorbide dinitrate and nicorandil, have been used in the treatment of cardiovascular diseases for many years. Unfortunately, the development of tolerance to these compounds limits its use as NO donor. Current interest in exogenous NO-donor drugs has focused on the design and synthesis of new drugs with improved pharmacokinetic properties. The search for new storage release systems, capable of delivering NO to desired targets, has stimulated the chemistry of metal nitrosyl complexes. Catalytic applications of transition metal nitrosyl complexes are of current interest to organometallic and organic chemists. Another stimulus to investigating NO reactivity of metal nitrosyl complexes, has been the developments in pollution control, largely stemming from attempts to remove, or at least diminish the concentration of NO in exhaust gases emitted by the internal combustion engine. Certain dinitrosyl complexes of transition metals were found to catalyze the conversion of CO and NO to the less harmful gases CO2 and N2O, which is of intrinsic interest because of their environmental relevance. In recent years, CO has also been shown to play a key role in human physiology. Depending upon its concentration CO molecule exhibits distinct physiological or pathological effects. CO releasing molecules have shown promises in controlling tissue damage. Hence, search for new and effective CO donors for controlled delivery to biological targets is of utmost importance. In view of above, this talk, therefore, primarily focuses our recent work related to the synthesis, characterization and quantum mechanical DFT computational studied of some recently reported metal nitrosyls and carbonyls form our laboratory. For making this talk interesting, this presentation will begin with basics of nitrosyl and carbonyl chemistry along with scope of these compounds in the beneficial role of mankind.