Synthesis, characterization, docking and biological studies of M(II) (M= Mg, Ca, Sr) Piroxicam complexes

Samra, Malka M.; Hafeez, Huma; Sadia, Aatika; Imran, Muhammad; Basra, Muhammad Asim Raza

doi:10.1016/j.molstruc.2021.132256

Cited by 10 publications

(30 citation statements)

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“…Meloxicam complexes were screened for their in vivo anti‐inflammatory by carrageenan‐induced paw edema protocol as previously described. [ 32–34,43 ] The rats were divided into eight groups ( n = 6): Group 1: Carrageenan Group 2: Mg(II) complex (5 mg kg −1 ) Group 3: Mg(II) complex (10 mg kg −1 ) Group 4: Mg(II) complex (20 mg kg −1 ) Group 5: Sr(II) complex (5 mg kg −1 ) Group 6: Sr(II) complex (10 mg kg −1 ) Group 7: Sr(II) complex (20 mg kg −1 ) Group 8: Standard (meloxicam; 10 mg kg −1 ). [ 44 ] …”

Section: Methodsmentioning

confidence: 99%

“…Meloxicam complexes were also screened for their analgesic effect by acetic acid‐induced writhings as reported previously. [ 32,33,43 ] Rats were divided into four groups ( n = 6): Group 1: Control (CMC) Group 2: Mg(II) complex (10 mg kg −1 ) Group 3: Sr(II) complex (10 mg kg −1 ) Group 4: Standard (meloxicam; 10 mg kg −1 ). [ 45 ] …”

Section: Methodsmentioning

confidence: 99%

“…[ 27–31 ] For instance, the alkaline earth metal complexes of piroxicam suppresses the inflammation more significantly than the ligand. [ 32 ] Similarly, Ca(II) complex of meloxicam revealed higher anti‐inflammatory effect as compared with meloxicam. [ 33 ] Bi(III) oxicam complexes also showed higher anti‐inflammatory and DNA cleavage activities.…”

Section: Introductionmentioning

confidence: 99%

“…[ 32 ] Similarly, Ca(II) complex of meloxicam revealed higher anti‐inflammatory effect as compared with meloxicam. [ 33 ] Bi(III) oxicam complexes also showed higher anti‐inflammatory and DNA cleavage activities. [ 34 ] Various meloxicam complexes have been prepared, but no studies regarding its complexation with alkaline earth metals, that is, magnesium (Mg) and strontium (Sr) metals, were reported.…”

Section: Introductionmentioning

confidence: 99%

“…[ 33 ] Bi(III) oxicam complexes also showed higher anti‐inflammatory and DNA cleavage activities. [ 34 ] Various meloxicam complexes have been prepared, but no studies regarding its complexation with alkaline earth metals, that is, magnesium (Mg) and strontium (Sr) metals, were reported. Mg and Sr are biologically important metals that promote the synthesis of several proteins and provide strength to bones and teeth.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, spectroscopic, in vitro, in vivo biological evaluation, and in silico docking analysis of new meloxicam metal complexes

Samra

Basra

2023

Applied Organom Chemis

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In the present study, two new meloxicam complexes with Mg(II) and Sr(II) were synthesized and characterized by spectroscopic and analytical methods, that is, UV–vis, IR, 1H NMR, 13C NMR, powder XRD, SEM–EDX, and TG analysis. The biological evaluation was done by in vitro antioxidant, BSA‐binding, DNA cleavage activities, and in vivo anti‐inflammatory, analgesic, and anxiolytic methods. Furthermore, in silico docking was done with Keap1 receptor to visualize the anti‐inflammatory effect of complexes. The spectral characterization suggested that meloxicam coordinated with the metal ions by oxygen and nitrogen of amide group and thiazolyl ring (Oamide and Nthiazolyl), respectively. The SEM pictures depicted dissimilar morphologies, and the powder XRD patterns showed different crystallinities of complexes than meloxicam. TG analysis exhibited high thermal stabilities of complexes and Coats–Redfern method was employed to calculate the important thermodynamic parameters. The complexes showed effective biological activities and enhanced safety index (LD50 = 1000 mg kg−1). The Mg(II) complex revealed greatest inhibitory effects in carrageenan‐induced paw inflammation (92.85%) and in acetic acid‐induced writhing (71.05%). Furthermore, the complexes showed higher potential to bind with BSA and cleave the DNA as compared with the meloxicam. Moreover, molecular docking against Keap1 showed that Mg(II) complex inhibited Keap1 with highest docking score (6166 kcal mol−1), docking area (804.40) and ACE (−417.49 kJ mol−1) which explained its higher anti‐inflammatory effect. Mg(II) complex of meloxicam might be considered as a candidate anti‐inflammatory drug; however, more research is required to investigate their other biological potential.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Synthesis, spectroscopic, in vitro, in vivo biological evaluation, and in silico docking analysis of new meloxicam metal complexes

Samra

Basra

2023

Applied Organom Chemis

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Synthesis, characterization, molecular modeling studies, and biological evaluation of metal piroxicam complexes (M = Ni(II), Pt(IV), Pd(II), Ag(I)) as antibacterial and anticancer agents

Soliman,

El‐sagheir,

Thabet

et al. 2024

Drug Development Research

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Four piroxicam metal complexes; NiL2, PtL2, PdL2, and AgL were synthesized and characterized by different techniques with enhanced antibacterial and anticancer activity. Regarding in vitro antimicrobial activity, complex NiL2 displayed potent antibacterial effect against Escherichia coli and Pseudomonas aeruginosa that was 1.9‐folds higher than piroxicam (minimum inhibitory concentration [MIC] = 31.85, 65.32 µM), respectively. In case of G+ve bacteria, complex PtL2 had potent activity on Staphylococcus aureus which was 2.1‐folds higher than piroxicam (MIC = 43.12 µM), while activity of complex AgL against Enterococcus faecalis was threefolds higher than piroxicam (MIC = 74.57 µM. Complexes PtL2 and PdL2 exhibited higher inhibition of DNA gyrase than piroxicam (IC50 = 6.21 µM) in the range of 1.9–1.7‐folds. The in vitro antiproliferative activity depicted that all investigated complexes showed better cytotoxic effect than piroxicam, specifically Pt and Pd complexes which had lower IC50 values than piroxicam on human liver cancer cell line HepG2 by 1.8 and 1.7‐folds, respectively. While Pd and Ag complexes showed 2 and 1.6‐folds better effect on human colon cancer cell line HT‐29 compared with piroxicam. Molecular modeling studies including docking on Stranded DNA Duplex (1juu) and DNA gyrase enzyme (1kzn) that gave good insight about interaction of complexes with target molecules, calculation of electrostatic potential map and global reactivity descriptors were performed.

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Computational investigation of pyrazinamide drugs and its transition metal complexes using a DFT approach

Khan,

Maha,

Riaz

et al. 2023

J Comput Chem

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Pyrazinamide, an antituberculosis but documented toxic drug, is subjected to computational investigation along with the metal complexes via a DFT approach to predict the structure–activity and structure‐toxicity relationship. 6‐31G(d,p) basis set was used for Zn, Ni, Mn, Fe, and Co, while the SDD basis set was applied to Cu, Cr, Cd, and Hg. Several reactivity parameters and charge distribution were calculated and the reactivity profile was estimated. The complexes were found to be soft and polarizable which could be responsible for their binding with bacterial targets to inhibit their growth. In contrast, pyrazinamide which is found to be hard among all is susceptible to being toxic. Moreover, the electronegative nature of the complexes can endow them with a better antibacterial effect. Since metal complexes have been found to be less toxic and more biologically interactive by computational methods, they can be employed as potent drugs for the cure of tuberculosis.

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Synthesis, characterization, docking and biological studies of M(II) (M= Mg, Ca, Sr) Piroxicam complexes

Cited by 10 publications

References 53 publications

Synthesis, spectroscopic, in vitro, in vivo biological evaluation, and in silico docking analysis of new meloxicam metal complexes

Synthesis, spectroscopic, in vitro, in vivo biological evaluation, and in silico docking analysis of new meloxicam metal complexes

Synthesis, characterization, molecular modeling studies, and biological evaluation of metal piroxicam complexes (M = Ni(II), Pt(IV), Pd(II), Ag(I)) as antibacterial and anticancer agents

Computational investigation of pyrazinamide drugs and its transition metal complexes using a DFT approach

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