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"Mustaqeem, Muhammad"
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RETRACTED: Ullah et al. Fluorescent and Phosphorescent Nitrogen-Containing Heterocycles and Crown Ethers: Biological and Pharmaceutical Applications. Molecules 2022, 27, 6631
by
Rehman, Muhammad Fayyaz ur
,
Ullah, Faiz
,
Bungau, Simona
in
Nitrogen
,
Pharmaceuticals
,
Retraction
2026
The journal retracts the article titled \"Fluorescent and Phosphorescent Nitrogen-Containing Heterocycles and Crown Ethers: Biological and Pharmaceutical Applications\" [...].The journal retracts the article titled \"Fluorescent and Phosphorescent Nitrogen-Containing Heterocycles and Crown Ethers: Biological and Pharmaceutical Applications\" [...].
Journal Article
Eco-friendly synthesis of gold nanoparticles using Equisetum diffusum D. Don. with broad-spectrum antibacterial, anticancer, antidiabetic, and antioxidant potentials
2025
The present study reports, the eco-friendly synthesis of gold nanoparticles (AuNPs) using
Equisetum diffusum
D. Don. extract, a medicinal plant known for its therapeutic properties. Phytochemicals present in the extract served as reducing and stabilizing agents for synthesizing stable AuNPs with an average size range of 68.8 nm. The biosynthesized AuNPs were characterized using UV–vis spectroscopy, FTIR, XRD, SEM, EDX, and dynamic light scattering (DLS) methods, confirming their stability, morphology, and crystalline nature. The green synthesized ED@AuNPs exhibited promising biological activities, including broad-spectrum antibacterial activity against both Gram-positive and Gram-negative bacteria, with inhibition zones from 24 to 37 mm. The anticancer activity was assessed through an MTT assay against hepatic carcinoma (HePG2) cells, revealing dose-dependent cytotoxicity with maximum inhibition at 200 µg/mL (47.62%). Antidiabetic activity was demonstrated by starch hydrolysis and enzyme kinetics, with significant α-amylase inhibitory activity up to 70.85%, comparable to the standard drug Acarbose. Moreover, antioxidant activity was conformed through FRAP and DPPH assays, indicating strong free radical scavenging activity and reducing ability. The study demonstrates the potential of biosynthesized ED@AuNPs as multifunctional agents with applications in biomedicine, particularly in antibacterial, anticancer, antidiabetic, and antioxidant therapies, offering an eco-friendly and sustainable approach for nanoparticle synthesis.
Journal Article
Biosynthesis of calcium oxide nanoparticles by employing Mulberry (Morus nigra) leaf extract as an efficient source for Rhodamine B remediation
2024
Green processes for synthesizing nanocomposites are a hot area of research today as traditional processes are expensive, inefficient, harmful for synthesizing organic and inorganic molecules, and unsuitable for large-scale operations. The present study investigates the capacity of green synthesized Calcium oxide nanoparticles (CaO NPs) for efficiently removing Rhodamine B. Chemical reduction was replaced with Mulberry (
Morus nigera
) leaf extract as an environmentally friendly reaction mechanism. CaO NPs are characterized by various analytical techniques including EDX, BET, SEM, FTIR, TGA, Zeta Potential, Point of Zero Charge (PZC), and XRD. Maximum adsorption of Rhodamine B by CaO NPs is revealed at an initial concentration of Rhodamine B of 80 ppm, a temperature of 343 K, and contact time of 60 min, 0.4 g of adsorbent at a pH value of 7. Maximum removal of Rhodamine B by CaO NPs was found to be 98.2% which is promising with this small amount of adsorbent (0.4 g). Diverse Kinetic and adsorption isotherms are employed in this study to determine the requirement and significance of the adsorption process. Various adsorption isotherms such as Freundlich, Temkin, Dubinin–Radushkevich (D–R), and Langmuir models have been employed. Among the kinetic adsorption isotherms Elovich, Intraparticle kinetic model, pseudo 1st order, and pseudo 2nd order models were applied. The current study investigates the thorough understanding of the Rhodamine B adsorption process including the mechanism of adsorption using condition optimization, characterization, and model applications. The proposed adsorbent can be employed for the green removal of Rhodamine B from wastewater of industry with maximum efficiency and favorable regeneration properties.
Journal Article
Heterocyclic Crown Ethers with Potential Biological and Pharmacological Properties: From Synthesis to Applications
by
Ullah, Faiz
,
Anwar, Saleha
,
Khan, Muhammad Farhan Ali
in
Caustic soda
,
Chemistry
,
Chromatography
2022
Cyclic organic compounds with several ether linkages in their structure are of much concern in our daily life applications. Crown ethers (CEs) are generally heterocyclic and extremely versatile compounds exhibiting higher binding affinity. In recent years, due to their unique structure, crown ethers are widely used in drug delivery, solvent extraction, cosmetics manufacturing, material studies, catalysis, separation, and organic synthesis. Beyond their conventional place in chemistry, this review article summarizes the synthesis, biological, and potential pharmacological activities of CEs. We have emphasized the prospects of CEs as anticancer, anti-inflammatory, antibacterial, and antifungal agents and have explored their amyloid genesis inhibitory activity, electrochemical, and potential metric sensing properties. The central feature of these compounds is their ability to form selective and stable complexes with various organic and inorganic cations. Therefore, CEs can be used in gas chromatography as the stationary phase and are also valuable for cation chromatographic to determine and separate alkali and alkaline-earth cations.
Journal Article
Ecofriendly Synthesis of Magnetic Composites Loaded on Rice Husks for Acid Blue 25 Decontamination: Adsorption Kinetics, Thermodynamics, and Isotherms
2023
Addressing the growing need for methods for ecofriendly dye removal from aqueous media, this study explores the potential of rice husks coated with iron oxide (Fe2O3@RH composites) for efficient Acid Blue 25 decontamination. The adsorption potential of Acid Blue 25 is analyzed using raw rice husks and Fe2O3 nanoparticles in the literature, but their enhanced removal capacity by means of Fe2O3@RH composites is reported for the first time in this study. Fe2O3@RH composites were analyzed by using analytical techniques such as TGA, SEM, FTIR, BET, and the point of zero charge (pH(PZC)). The Acid Blue 25 adsorption experiment using Fe2O3@RH composites showed maximum adsorption at an initial concentration of Acid Blue 25 of 80 ppm, a contact time of 50 min, a temperature of 313 K, 0.25 g of Fe2O3@RH composites, and a pH of 2. The maximum percentage removal of Acid Blue 25 was found to be 91%. Various linear and nonlinear kinetic and isothermal models were used in this study to emphasize the importance and necessity of the adsorption process. Adsorption isotherms such as the Freundlich, Temkin, Langmuir, and Dubinin–Radushkevich (D–R) models were applied. The results showed that all the isotherms were best fitted on the data, except the linear form of the D–R isotherm. Adsorption kinetics such as the intraparticle kinetic model, the Elovich kinetic model, and the pseudo-first-order and pseudo-second-order models were applied. All the kinetic models were found to be best fitted on the data, except the PSO model (types II, III, and IV). Thermodynamic parameters such as ΔG° (KJ/mol), ΔH° (KJ/mol), and ΔS° (J/K*mol) were studied, and the reaction was found to be exothermic in nature with an increase in the entropy of the system, which supported the adsorption phenomenon. The current study contributes to a comprehensive understanding of the adsorption process and its underlying mechanisms through characterization, the optimization of the conditions, and the application of various models. The findings of the present study suggest practical applications of this method in wastewater treatment and environmental remediation.
Journal Article
In Silico and In Vitro Studies of 4-Hydroxycoumarin-Based Heterocyclic Enamines as Potential Anti-Tumor Agents
by
Rehman, Muhammad Fayyaz ur
,
Assad, Mediha
,
Ahmad, Nadeem
in
4-Hydroxycoumarins
,
anti-tumor
,
Antimitotic agents
2023
The present study reports the one-step synthesis of several 3-formyl-4-hydroxycouramin-derived enamines (4a–4i) in good yields (65–94%). The characterization of the synthesized compounds was carried out via advanced analytical and spectroscopic techniques, such as melting point, electron impact mass spectrometry (EI-MS), 1H-NMR, 13C-NMR, elemental analysis, FTIR, and UV-Visible spectroscopy. The reaction conditions were optimized, and the maximum yield was obtained at 3–4 h of reflux of the reactants, using 2-butanol as a solvent. The potato disc tumor assay was used to assess Agrobacterium tumefaciens-induced tumors to evaluate the anti-tumor activities of compounds (4a–4i), using Vinblastine as a standard drug. The compound 4g showed the lowest IC50 value (1.12 ± 0.2), which is even better than standard Vinblastine (IC50 7.5 ± 0.6). For further insight into their drug actions, an in silico docking of the compounds was also carried out against the CDK-8 protein. The binding energy values of compounds were found to agree with the experimental results. The compounds 4g and 4h showed the best affinities toward protein, with a binding energy value of −6.8 kcal/mol.
Journal Article
Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from the In-Silico World
by
Rehman, Muhammad Fayyaz ur
,
Eman, Rida
,
Aslam, Mehwish
in
Amino acids
,
Antioxidants
,
antioxidants for COVID-19
2021
The SARS CoV-2 pandemic has affected millions of people around the globe. Despite many efforts to find some effective medicines against SARS CoV-2, no established therapeutics are available yet. The use of phytochemicals as antiviral agents provides hope against the proliferation of SARS-CoV-2. Several natural compounds were analyzed by virtual screening against six SARS CoV-2 protein targets using molecular docking simulations in the present study. More than a hundred plant-derived secondary metabolites have been docked, including alkaloids, flavonoids, coumarins, and steroids. SARS CoV-2 protein targets include Main protease (MPro), Papain-like protease (PLpro), RNA-dependent RNA polymerase (RdRp), Spike glycoprotein (S), Helicase (Nsp13), and E-Channel protein. Phytochemicals were evaluated by molecular docking, and MD simulations were performed using the YASARA structure using a modified genetic algorithm and AMBER03 force field. Binding energies and dissociation constants allowed the identification of potentially active compounds. Ligand-protein interactions provide an insight into the mechanism and potential of identified compounds. Glycyrrhizin and its metabolite 18-β-glycyrrhetinic acid have shown a strong binding affinity for MPro, helicase, RdRp, spike, and E-channel proteins, while a flavonoid Baicalin also strongly binds against PLpro and RdRp. The use of identified phytochemicals may help to speed up the drug development and provide natural protection against SARS-CoV-2.
Journal Article
A facile sonochemical protocol for synthesis of 3-amino- and 4-amino-1,2,4-triazole derived Schiff bases as potential antibacterial agents
by
Sultan, Aeysha
,
Sajjad, Noreen
,
Ur Rehman, Mian Habib
in
Aldehydes
,
Antibacterial agents
,
Antifungal agents
2020
A facile method has been developed for the synthesis of Schiff bases derived from substituted and unsubstituted 3-amino- and 4-amino-1,2,4-triazoles. Condensation of the aminotrizoles with a variety of aromatic aldehydes afforded desired Schiff bases in excellent yields in 3-5 minutes of exposure to ultra-sound. The synthesized compounds were characterized by means of IR, .sup.1 HNMR and Mass spectrometry. The synthesized compounds were also screened for their antibacterial potential against Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Staphylococcus aureus and Bacillus subtilis) strains.
Journal Article
Symmetrical Heterocyclic Cage Skeleton: Synthesis, Urease Inhibition Activity, Kinetic Mechanistic Insight, and Molecular Docking Analyses
2019
The present study focuses on the design and synthesis of a cage-like organic skeleton containing two triazole rings jointed via imine linkage. These molecules can act as urease inhibitors. The in-vitro urease inhibition screening results showed that the combination of the two triazole skeleton in the cage-like morphology exhibited comparable urease inhibition activity to that of the reference thiourea while the metallic complexation, especially with copper, nickel, and palladium, showed excellent activity results with IC50 values of 0.94 ± 0.13, 3.71 ± 0.61, and 7.64 ± 1.21 (3a–c), and 1.20 ± 0.52, 3.93 ± 0.45, and 12.87 ± 2.11 µM (4a–c). However, the rest of compounds among the targeted series exhibited a low to moderate enzyme inhibition potential. To better understand the compounds’ underlying mechanisms of the inhibitory effect (3a and 4a) and their most active metal complexes (3b and 4b), we performed an enzymatic kinetic analysis using the Lineweaver–Burk plot in the presence of different concentrations of inhibitors to represent the non-competitive inhibition nature of the compounds, 3a, 4a, and 4b, while mixed type inhibition was represented by the compound, 3b. Moreover, molecular docking confirmed the binding interactive behavior of 3a within the active site of the target protein.
Journal Article
RSM/ANN based optimized recovery of phenolics from mulberry leaves by enzyme-assisted extraction
by
Qadir, Rahman
,
Anwar, Farooq
,
Zahoor, Sadaf
in
Acids
,
artificial neural network
,
Artificial neural networks
2019
Recovery of phenolics from Morus alba leaves (MAL) and extraction into the solvent was optimized using enzyme-assisted extraction. The influence of four parameters, including enzyme concentration (EC), temperature (T), incubation time (t) and pH were investigated using rotatable central composite design (RCCD). Two factors, namely enzyme concentration and pH, exhibited significant effect on extraction efficacy yield of extractable phenolics from MAL. Furthermore, artificial neural network (ANN) model was executed to predict the relationship between dependent and independent variables. Among enzyme complexes (kemzyme dry-plus, natuzyme and zympex-014) employed for extraction, zympex-014 assisted extract depicted maximum amount of phenolic bioactives from MAL. Morphological changes in the cell wall of MAL residue were elucidated by scanning electron microscopy (SEM). The main phenolic compounds identified and quantified by gas chromatography mass spectrometry (GC/MS) in MAL extract were found to be quercetin, gallic acid, m-coumaric acid, cinnamic acid, syrinigc acid and vanillic acid.
Journal Article