Structural, biological and pharmaceutical importance of antibiotic agent chloramphenicol

Abstract

The vibrational, magnetic resonance and electronic spectral techniques are used to evaluate structural activity associated physico-chemical properties. The biological affinity and drug importance was validated by calculating biological parameters using HyperChem. Mulliken charge assignment for restoring chemical potential for generating drug potential in the molecular site was mapped and analyzed. The vibrational spectral pattern was estimated by identifying active and inactive bands and hindrance of vibrational activity of Acetamide group was monitored and thereby drug malfunction was tested. The chemical reaction pathway around the core carbons of chain and ring was keenly noted and the cause of chemical potential for the inducement of drug mechanism was reported. The stimulation of chemical mechanism for antibiotic activity was addressed by suitable evidence and further improvement for enhancing activity was made. The electronic HOMO and LUMO interaction over different molecular entities are discussed to expose accompany of drug mechanical transitions. The CT complex was recognized to be C¼N and C¼C bonds and operating drug mechanism was monitored. The unwanted drug property induced by perplexes of charge depletion on α-hydroxyl group was assessed from MEP map. The hyperactive polarization energy of 266.18 X10 À33 esu and 327 X10 À33 esu of present compound is causing biological activity in good order. The uncontrolled breathing region of Acetamide group was clarified in VCD profile and this is main cause to produce toxicity in drug process.

Oxy-Polybrominated Diphenyl Ethers from the Indonesian Marine Sponge, Lamellodysidea herbacea: X-ray, SAR, and Computational Studies

“…Compounds (1, 2, 14, 16-18, 20, 23, 26) were isolated and confirmed from the reaction. MS and 1 H NMR spectra of compounds(1,2,16,17,20,23,26) were in a good agreement with previous reports[14,15].Debromination of 1, including its product, can be supported by DFT ωB97X-D/6-311 + G(2d,p) calculations. Combination analysis of frontier molecular orbital (HOMO) for 1, 2, 14, 16-18, 20, 23, 26 and their electrostatic charge are shown in Figure7allowing us to propose the three putative debromination pathways.…”

“…The result was supported by the shape of HOMO and LUMO for 1, 16, and 30 (Figure 9). Compounds 1 and 16 showed the HOMO-LUMO orbitals located in different molecular regions and this characteristic may explain their potent antibacterial activity, as shown in many studies [9,26,27]. In contrast, 30 had HOMO-LUMO orbitals dispersed across almost the entire molecular region.…”

Modelling the Anti-Methicillin-Resistant Staphylococcus Aureus (MRSA) Activity of Cannabinoids: A QSAR and Docking Study

“…Moreover, it seems that the characteristic explained above is very common in antibacterial and antimicrobial compounds. An in-depth review of the bibliography reveals that several antibacterial and antibiotic (commercial and potential pharmaceutical) compounds have the HOMO-LUMO orbitals located in different molecular regions [64][65][66][67][68][69][70][71][72]. Thus, Compounds 2, 10, and 19, might be serious candidates for becoming pharmaceutical compounds.…”

Probabilistic Risk Assessment of Dietary Exposure to Chloramphenicol in Guangzhou, China

“…Chloramphenicol (CAP), a broad-spectrum antibacterial compound, was once (more than 20 years back) legally used to maintain animal health, both therapeutically and preventively, owing to its effects against bactericidal infection [1]. Since it was convincingly observed that CAP can induce aplastic anaemia in humans as well as some undesirable reproductive/hepatotoxic effects in animals, CAP has been banned from use in medicine, food, animal husbandry, and aquaculture production at least for 20 years in various countries and regions [2][3][4]. However, its residues remain widely detectable in various food commodities, such as eggs, meat, milk, and honey, probably due to continuous, illegal use of CAP in domestic animals [3,5].…”