Abstract
The molecular spectroscopic investigations have been carried out to study the antibiotic activity of the Isonicotino hydrazide. The activity of the compositional parts was tested by fundamental modes of vibrations of various bonds of the molecule. The chromophores action for the inducement of the antibiotic activity of the compound was analyzed from the electronic excitation absorption peaks. The σ-bond, π-bond and δ-bond interaction lobes were identified and the energy exchange between the orbitals was investigated from frontier molecular orbital profile. The asymmetrical charge distribution among different entities of the molecule for the perseverance of anti tuberculosis mechanism was recognized. The NMBO interaction energy transition outline was organized by the NBO calculation adapted with Gaussian calculations and the exchange of maximum energy transaction among various functional groups for the incentive of antibiotic were determined. The second order Polarizability of the compound emphasized the consistency of the antibiotic activity of the molecule. Thermodynamic activity of the molecule with respect to the temperature was stressed the decomposition rate and Gibbs free energy helped to determine the steadiness of the compound. The inhibition catalytic efficiency of the title molecule was fully tested by molecular docking study.
Highlights
Isonicotino hydrazide is named as Isoniazid, is an antibiotic compound used as a first-line agent for the prevention and treatment of both latent and active tuberculosis [1]
The fundamental property of the pyridine compound was antipyretic substance, but after the substitution, the present compound to be acted as an anti tuberculosis agent
All the investigations made on the molecule proved the root cause of the antibiotic property
Summary
Isonicotino hydrazide is named as Isoniazid, is an antibiotic compound used as a first-line agent for the prevention and treatment of both latent and active tuberculosis [1]. It is effective organic compound against mycobacteria, Mycobacterium tuberculosis. Isonicotino hydrazide is available in tablet, syrup, and injectable forms [3,4]. It was considered as a starting point in the search for new active derivatives and analogues such as hydrazones which have been reported as active anti-TB drugs [5,6]. Isonicotino hydrazide inhibits the synthesis of mycoloic acids, an essential component of the bacterial cell wall
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