Biological activities of pyrazoline-indole based Re(I) carbonyls: DNA interaction, antibacterial, anticancer, ROS production, lipid peroxidation, in vivo and in vitro cytotoxicity studies

Varma, Reena R.; Pandya, Juhee G.; Vaidya, Foram U.; Pathak, Chandramani; Bhatt, Bhupesh S.; Patel, Mohan N.

doi:10.1016/j.cbi.2020.109231

Cited by 17 publications

(6 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…While the molecule is the most reactive in water, it is noteworthy that the electrophilicity index (w) is the lowest in water. Molecular docking is an essential tool in in-silico drug research (özdemir et al, 2020;Tian et al, 2015;Varma et al, 2020). In this study, the CO-releasing activities determined at different pH values were compared with the theoretical results.…”

Section: Resultsmentioning

confidence: 99%

A simple theoretical approach to converging of Myoglobin-Assay with different pH values

Gülcü

Üstün

2021

Acta Chimica Slovaca

View full text Add to dashboard Cite

Many metal carbonyl complexes have been synthesized and analyzed as CO-releasing agents. As in many bioactivity assays, differences between in-vitro and in-vivo studies in Myoglobin Assay have been observed. Adjustment of in-vitro conditions to in-vivo conditions is one way to overcoming this problem. Changing the conditions of each in-vivo assay is not possible considering the available grant, material, and labor facilities. In-silico methods are suitable as they provide better in-vitro conditions before experimental procedures. A method which is easy to employ on a basic computer could be more suitable to observe the assay convergence. In this study, global reactivity descriptors were used as an approach to investigate pH differences in myoglobin assay. Global reactivity descriptors of the molecules were compared with myoglobin assay results at different pH values and molecular docking results performed with optimized molecules in different solvents. The following complexes were studied: [Mn(CO)3(bpy)(L)]PF6 (bpy: 2,2-bipyridyl, L: benzylbenzimidazole, 4-chlorobenzylbenzimidazole).

show abstract

Section: Resultsmentioning

confidence: 99%

A simple theoretical approach to converging of Myoglobin-Assay with different pH values

Gülcü

Üstün

2021

Acta Chimica Slovaca

View full text Add to dashboard Cite

show abstract

“…Ahmed Elkamhawy et al [49] developed a protocol to synthesize new N-substituted indole-based derivatives 166 (a-i). Reena R. Verma et al [50] developed a method for synthesis of hetero mononuclear rhenium(I) metal complexes 172 (a-e). Initially Indole-3-carboxaldehyde (167) was reacted with allyl prepared by reacting compounds 170 (a-e) with benzhydrazide and KOtBu in methanol at 70 °C followed by reaction with Re(CO) 5 Cl in ethanol at 70-80 °C yielded final compounds 172 (a-e).…”

Section: Acid Followed By Refluxing For 1 H To Yield Final Compounds ...mentioning

confidence: 99%

Insight into Indole‐Based Heterocyclic Scaffolds: A Medicinal Chemistry Perspective

Bendi,

Versha,

Rajni

et al. 2023

ChemistrySelect

View full text Add to dashboard Cite

The importance of indole‐based heterocycle scaffolds in medicinal chemistry has increased as a result of their significant pharmacological and biological characteristics. These compounds′ importance in the discovery and creation of cutting‐edge medications to treat a variety of diseases is an instance of their worth. The current study highlights the numerous methods available to create different indole‐based heterocycle scaffolds and their favourable medical uses with the literature that has been published up to 2023.

show abstract

“…Lipid peroxidation proceeds in the form of a self-sustaining chain reaction and is very harmful. e formation of lipid-free radicals and lipid peroxide radicals in the cell membranes is considered an important feature of the cell damage caused by reactive oxygen species [28]. Ascorbic acid was used as a positive control.…”

Section: In Vitro Lipid Peroxidation Inhibition Assaymentioning

confidence: 99%

Synthesis, Antibacterial, and Antioxidant Activities of Thiazolyl-Pyrazoline Schiff Base Hybrids: A Combined Experimental and Computational Study

Zelelew

Endale

Melaku

et al. 2022

Journal of Chemistry

View full text Add to dashboard Cite

Thiazole-pyrazoline Schiff base hybrids have a broad range of pharmacological potential with an ability to control the activity of numerous metabolic enzymes. In this work, a greener and more efficient approach has been developed to synthesize a novel series of thiazole-pyrazoline Schiff base hybrids using ZnO nanoparticle-assisted protocol in good to excellent yields (78.3–96.9%) and examined their antibacterial activity against Gram-positive and Gram-negative bacteria, as well as their antioxidant activity. Compound 24 (IZD = 18.67 ± 0.58) displayed better activity against P. aeruginosa compared with amoxicillin (IZD = 14.33 ± 2.52) at 250 μg/mL, whereas compounds 22 and 24 (IZD = 13.33 ± 0.58 mm and 17.00 ± 1.00 mm, respectively) showed better activity against E. coli compared with amoxicillin (IZD = 14.67 ± 0.58 mm) at 500 μg/mL. The remaining compounds showed moderate to weak activity against the tested bacterial strains. Compound 21 displayed significant inhibition of DPPH (IC50 = 4.63 μg/mL) compared with ascorbic acid (IC50 = 3.21 μg/mL). Compound 21 displayed 80.01 ± 0.07% inhibition of peroxide formation, suggesting its potential in preventing the formation of lipid peroxides. The results of the ADMET study showed that all synthesized compounds obeyed Lipinski's rule of five. In silico pharmacokinetic study demonstrated that compound 24 had superior intestinal absorption compared with amoxicillin. In silico molecular docking analysis revealed a binding affinity of −9.9 Kcal/mol for compound 24 against PqsA compared with amoxicillin (−7.3 Kcal/mol), whereas compounds 22 and 24 displayed higher binding affinity (−8.5 and −7.9 Kcal/mol, respectively) with DNA gyrase B compared with amoxicillin (-7.1 Kcal/mol), in good agreement with in vitro antibacterial activity against P. aeruginosa and E. coli. In silico toxicity study showed that all synthesized compounds had LD50 (mg/kg) values ranging from 800 to 1,000 putting them in ProTox-II class 4. The in vitro antibacterial activity and molecular docking analysis showed that compound 24 is a promising antibacterial therapeutic agent against P. aeruginosa and E. coli and compound 22 is a promising antibacterial agent against E. coli, whereas compound 21 is found to be a potential natural antioxidant agent. Moreover, the green synthesis approach using ZnO nanoparticle as catalyst was found to be a very efficient method to synthesize biologically active thiazole-pyrazoline Schiff base hybrids compared with the conventional method.

show abstract

Biological activities of pyrazoline-indole based Re(I) carbonyls: DNA interaction, antibacterial, anticancer, ROS production, lipid peroxidation, in vivo and in vitro cytotoxicity studies

Cited by 17 publications

References 38 publications

A simple theoretical approach to converging of Myoglobin-Assay with different pH values

A simple theoretical approach to converging of Myoglobin-Assay with different pH values

Insight into Indole‐Based Heterocyclic Scaffolds: A Medicinal Chemistry Perspective

Synthesis, Antibacterial, and Antioxidant Activities of Thiazolyl-Pyrazoline Schiff Base Hybrids: A Combined Experimental and Computational Study

Contact Info

Product

Resources

About