Structure activity investigation, CT complex analysis and spectroscopic investigation on antibiotic drug; Sulfamethoxazole using quantum chemical calculations

Abstract

The physico-chemical, structural and biological significance for the drug Sulfamethoxazole was analyzed by vibrational spectroscopic, biological assessment and theoretical tools. The structure activity on par with ligand group injection into the internal coordinate system was analyzed using the various spectroscopic techniques (FT-IR, FT-Raman, NMR and UV–Vis).The drug potential reside over molecular site was thoroughly studied by molecular charge depletion profile (protonic and electronic delocalization). In order to attain the proper drug function, the chemi-equivalent potential exchange was monitored on different entities of the molecule. The biological profile was keenly observed to find out the biological ambiance of the present molecule and to fabricate an advanced drug model of the molecule. The exchange of chemical potential in the core and allied carbons of the molecular skeleton was keenly noted to find the prearranged chemical environment for successful drug operation. The non-bonded transitions between Lewis acid and base of bonded molecular system were observed to determine the restoring potential to customize drug potential. The drug assistance for enantiomer characteristics of chirality sequence was displayed to expose the toxicity effect of the molecule. The hyperactive pressure was measured in terms of polarizability and corresponding biological properties were validated.

Keywords

• Sulfamethoxazole
• Chemi-equivalent
• Charge depletion
• Lewis acid
• Hyperactive pressure
• Polarizability