Quantum Chemical Calculation And Spectroscopic Approach For The Analyses Of 2-Oxovaleric Acid, Methyl Ester


  • M. Lawrence , P. Rajesh , S. Sahaya Jude Dhas




In ancient times, certain plants and their parts were used to cure most of the kinds of human diseases. Hybanthus, an eternal medicinal herb has been used in traditional medicine for treating ailments such as diarrhoea, urinary infections, and anti-allergic remedy which have been reported. Since the plant has many pharmacological activities, further research work in the field of drug discovery could be carried out on the active compounds other than this angelic herb. The chief chemical constituents present in Hybanthus are alkaloids, flavonoids, steroids, terpenoids, phenols, dipeptide, isoarborinol, and sugars tannins. In the current investigation, infrared spectroscopic techniques are employed for the identification and assignment of common functional groups present in the medicinally important 2-oxovaleric acid, methyl ester compound. It is used to strengthen the milk secretion in women and utilized in external exercise of the herb relieves for ulcer and hemicrania. The internal standard ratio of the specific modes of the vibration in the IR spectra of the sample has been analyzed between the sample stored in the suitable storage condition and the sample exposed to environmental hazards.  2-Oxovaleric acid is a secondary metabolically or physiologically non-essential metabolites that serve a prominent role of signal-ling molecules, the incomplete metabolism of other secondary metabolites. 2-oxovaleric acid carries oxo- and methyl substituents at C-2 and C-3, respectively. 2-Oxovaleric acid is known to possess the structure of alpha-keto acid which is the constituent of the metabolite of isoleucine in man, animals and bacteria. The fresh liquid extract that is derived from the hybanthus leaves of PN could be utilized as blood tonic and clinical marker of maple syrup which is used for curing urine diseases. 2-oxovaleric acid, methyl ester molecules have been analyzed using FTIR, and DFT (B3LYP) method using the extended 6-311++G (d,p). UV-Visible spectroscopic investigation on this compound has also been made to study the variation in the light absorption activity of λmax of the drug with various concentrations and at different storage conditions.



2022-12-31 — Updated on 2022-12-31




How to Cite

Quantum Chemical Calculation And Spectroscopic Approach For The Analyses Of 2-Oxovaleric Acid, Methyl Ester. (2022). Journal of Pharmaceutical Negative Results, 1495-1513. https://doi.org/10.47750/pnr.2022.13.S10.176