Identification of pharmacophore in bioactive metal complexes: Synthesis, spectroscopic characterization and application

Mehrotra, Ripul; Shukla, Satyendra N.; Gaur, Pratiksha; Dubey, Archana

doi:10.1016/j.ejmech.2012.01.049

Cited by 14 publications

(9 citation statements)

References 23 publications

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“…Another band observed for H 2 L 1 and H 2 L 2 at~1428 cm −1 corresponding to N=N unsymmetrical stretch [27] is weak, probably due to non-polar nature, and shows negative shifts by 12-18 cm −1 in 1-4. This was an indication for involvement of N=N as another binding site and in support with ν(M-N) stretch at~280 cm −1 [25].…”

Section: Spectral Studiesmentioning

confidence: 81%

“…This was further in support with involvement of phenolate oxygen in coordination and confirmed with the band for ν(M-O). This band was observed at 450 and 550 cm −1 in rhodium and ruthenium complexes, respectively [25,26]. Another band observed for H 2 L 1 and H 2 L 2 at~1428 cm −1 corresponding to N=N unsymmetrical stretch [27] is weak, probably due to non-polar nature, and shows negative shifts by 12-18 cm −1 in 1-4.…”

Section: Spectral Studiesmentioning

confidence: 95%

“…On the basis of UV-vis and FT-IR studies, it was evident that probably, two Cl − were replaced along with two H + ions (one of Ar-OH and second due to C-H bond activation) during complexation. This view was verified qualitatively by AgNO 3 test [21,25]. Thus, binding modes of 2 and 4 were concluded on the basis of elemental analyses, conductivity experiments, and spectroscopic (FT-IR, UV-vis, and FAB-Mass) studies as suggested in figure 1.…”

Section: Structure Of Ligands Diamagnetic Rh(iii) and Paramagnetic mentioning

confidence: 99%

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Synthesis and spectroscopic characterization of antibacterial rhodium and ruthenium organometallics molded by C–H activation at theorthoposition of a phenyl ring

Mehrotra

Shukla

Gaur

2015

Journal of Coordination Chemistry

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Cyclometalation of a pendant aromatic ring is an example of C-H bond activation. Organometallic compounds were biologically potent and may be helpful for pharmaceutical industries for biological targets.Drug resistance in pathogens is a growing global health problem. The development of new drugs is a risky, time-consuming, and expensive process, since only a few got final approval. Organometallic compounds attracted attention due to their promising anticancer activities. In this study, four cyclometallates containing ruthenium and rhodium ions were synthesized from two phenolic azo ligands. These molecules were characterized by elemental analyses, molar conductance measurements, magnetic susceptibility, FT-IR, mass, electronic, 1 H, 13 C{ 1 H}, and 31 P{ 1 H} NMR spectral studies. The general formula for the complexes is trans-[M(PPh 3 ) 2 (Cl)(L)], where M = Rh or Ru, PPh 3 = triphenylphosphine, and L = phenolic azo ligand. All the complexes possess prominent antibacterial activity against Escherichia coli and Mycobacterium tuberculosis as compared to market drugs. The interactions of rhodium derivatives with plasma-protein were also studied.

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Section: Spectral Studiesmentioning

confidence: 81%

Section: Spectral Studiesmentioning

confidence: 95%

Section: Structure Of Ligands Diamagnetic Rh(iii) and Paramagnetic mentioning

confidence: 99%

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Synthesis and spectroscopic characterization of antibacterial rhodium and ruthenium organometallics molded by C–H activation at theorthoposition of a phenyl ring

Mehrotra

Shukla

Gaur

2015

Journal of Coordination Chemistry

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“…Medicinal chemistry is predominately focused on designing of organic molecules. The obstructive action of a compound against germs was related to chemical structure and specifically to substructures or certain groups called toxicophore or pharmacophore [21]. The knowledge of these chemical functionalities was identified by the chemist.…”

Section: Resultsmentioning

confidence: 99%

Systematic Evaluation of Lipophilicity in Correlation with Pharmacophore Identification to Develop Potent Bacterial Inhibitors

et al. 2019

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Purpose The widespread drug resistances against bacteria have been increased at an alarming rate and coerce to develop new designs with improved potency. Pharmacophore is the part of a molecular structure that responsible for a particular biological or pharmacological interaction. Lipophilicity is one of the key factors that play a crucial role in designing novel antibacterial agents. This parameter has been used in connection with blood-brain barrier (BBB) distribution or intestinal drug absorption and is sculpting by partition of a solute between n-octanol and water (LogP). It has been shown that increased lipophilicity can be correlated with increased biological activity, poorer aqueous solubility, more rapid metabolism and elimination, increased rate of skin penetration, increased plasma protein binding and faster action. Therefore, the purpose of this study is to estimate Lipophilicity in correlation with pharmacophoric nature of the compounds. Method In this study, a series of pyrazole derivatives were prepared through Schiff base condensation. Different groups were tuned as toxicophore at one end of molecular framework in order to identify their pharmacophoric function. All molecules were characterized through spectroscopic methods viz. IR, ESI-MS, 1 H-NMR, 13 C-NMR and elemental analysis. Antibacterial activities of all the derivatives were evaluated against Escherichia coli and Mycobacterium tuberculosis in comparison to standard drugs. Result The compound 4-bromo-N-((5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-yl)methylene)benzenamine (2j) was found the most promising among others with cytotoxicity 33.5 µg/mL determine through Brine Shrimp lethality bioassay. Conclusion Electron withdrawing groups play a significant role in lipophilic control and inhibition action.

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“…Obtaining the most accurate chemical structure of silver complexes is closely related to its biological properties, such as the identification of pharmacophores, 82 interaction with DNA and antibacterial activity, 83 , 84 blocking of topoisomerase II enzymes (inhibiting the DNA repair activity) and possible anti-cancer, anti-fungal and anti-parasitic effects. 2 , 4 , 18 …”

Section: Discussionmentioning

confidence: 99%

Essential Guide of Analysis Methods Applied to Silver Complexes with Antibacterial Quinolones

Rusu¹,

Hancu²,

Imre³

2018

Adv Pharm Bull

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To describe the chemical structure and characterize physico-chemical properties of organometallic complexes it is necessary to use a complex set of analysis methods. Thus, this review has been compiled as a relevant guide which includes the most commonly used methods of analysis in the study of silver complexes with antibacterial quinolones, compounds with promising biological potential. This selection of analysis methods puts on balance the obtained data and the accessibility of the experimental approach. The steps to follow in order to obtain reliable structural information about organometallic complexes of silver, particularly the silver complexes of antibacterial quinolones, are established and presented in the review.

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Identification of pharmacophore in bioactive metal complexes: Synthesis, spectroscopic characterization and application

Cited by 14 publications

References 23 publications

Synthesis and spectroscopic characterization of antibacterial rhodium and ruthenium organometallics molded by C–H activation at theorthoposition of a phenyl ring

Synthesis and spectroscopic characterization of antibacterial rhodium and ruthenium organometallics molded by C–H activation at theorthoposition of a phenyl ring

Systematic Evaluation of Lipophilicity in Correlation with Pharmacophore Identification to Develop Potent Bacterial Inhibitors

Essential Guide of Analysis Methods Applied to Silver Complexes with Antibacterial Quinolones

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