بحوث سكوبس — ناصر عبدالحسن ناصر الطائي

Prostate cancer remains a leading cause of cancer-related mortality in men, necessitating the development of novel and potent therapeutic agents. In this study, a series of 3-acetyl-2-aryl thiazolidine-4-carbohydrazide derivatives (AM1–8) were synthesized and systematically evaluated for their anticancer potential. Comprehensive spectroscopic characterization, including FT-IR, NMR, and mass spectrometry, confirmed the molecular structures of the synthesized compounds. The in vitro cytotoxicity against human prostate cancer (PC3) cells was assessed using the MTT assay, revealing that halogenated derivatives AM4 (4-Cl) and AM5 (4-Br) exhibited superior anticancer activity, with IC₅₀ values of 46.78 µg/mL and 30.52 µg/mL, respectively, outperforming clinically used standards Darolutamide and R-Bicalutamide. Density Functional Theory (DFT) calculations, ADME, molecular docking, and POM analysis were conducted to understand their electronic/structural properties and the structure–activity relationship (SAR) contributing to bioactivity. ADME results indicated favorable pharmacokinetics for AM4 and AM5, including high gastrointestinal absorption, compliance with Lipinski's rule, and no blood-brain barrier penetration. POM analysis revealed key antitumor pharmacophore sites, while Osiris toxicity predictions indicated no mutagenic, tumorigenic, irritant, or reproductive toxicity risks. Molecular docking studies were conducted against two key cancer-related targets: Thymidylate Synthase (PDB: 6QXG) and the anti-apoptotic protein Bcl-2 (PDB: 8HLM) to get better understanding of AM1–8 binding affinities to both targets. Overall, SAR analysis revealed that halogen-substituted thiazolidine derivatives enhance cytotoxicity by modulating electronic properties and improving receptor binding affinity. These findings position AM4 and AM5 as promising lead candidates for prostate cancer therapy, warranting further in vivo and clinical investigations for potential drug development. © 2025

In this work, new substituted drugs polymerized as new homogenous polymers with study their medicinal properties to extend the controlled drug. The first step includes preparation of compound N-(4-hydroxyphenyl) maleimide (D1) via reaction of maleic anhydride with 4-aminophenol. Afterwards, compound (D1) was converted to maleimide phenol acetic acid ether (D2). Compound (D2) was converted to its corresponding acyl chloride derivative which reacted with amino drugs (silver sulfadiazine, isoniazid, and 4-aminoantpyrine) afforded monomers (D3, D4, and D5). Homogeneous polymers (D6, D7, and D8) prepared via polymerization reaction of free radicals of the monomers (D3, D4, and D5) under nitrogen using benzoyl peroxide (Bpo) as initiator. All these prepared monomers and polymers were characterized by FT-IR and1H-NMR,13 C-NMR techniques and C.H.N.S were used to elementary analysis of the monomers. The study of the drug release behavior in acidic and basic media was achieved as well as the swelling ratio. The antibacterial activity and physical properties of all monomers and polymers were studied. © 2025, Sami Publishing Company. All rights reserved.

The author's regret the following underlined corrections in Pages 3 and 4: Subsection: 2.2.2.1. (2R/S,4R)-3-Acetyl-N’-benzoyl-2-phenylthiazolidine-4-carbohy drazide (AM1). White Crystals, Yield: 27 %, m.p:114–116 °C, Rf=0.55. Mass spectra (EI: 70 eV): m/z =369 [M⋅+], major fragments at m/z 233, 106, 77, 43 and base peak at m/z135. FT-IR (cm1): 3373 w (NH), 3059 (CH-Ar), 2931(CH-alph.), 1732s (C =O), 1604 m (NH bend.), 1251 (C–N), 1090 (C–O). 1HNMR (DMSO-d6, δ ppm, J Hz) spectrum in dicates the presence of two diastereoisomers (Fig. 3), with the trans isomer (2S,4R) being the major component (ratio 79:21) with main peaks at δ 1.78 (s, 3H, CH₃), δ 3.09 (m), δ 3.44 (t, 2H, C5, J =4 Hz), δ 4.74 (m, 1H, C4, J =4 Hz), δ 6.53 (s, 1H, H-2), δ 7.26–7.92 (d, t, 10H, J =8 Hz, H-Ar), δ 8.94, 9.85 (s, 2H, NH amide). …………… Correction: 2.2.2.1. (2R/S,4R)-3-Acetyl-N’-benzoyl-2-phenylthiazolidine-4-carbohy drazide (AM1). White Crystals, Yield: 27 %, m.p:114–116 °C, Rf=0.55. Mass spectra (EI: 70 eV): m/z =369 [M⋅+], major fragments at m/z 233, 106, 77, 43 and base peak at m/z135. FT-IR (cm1): 3373 w (NH), 3059 (CH-Ar), 2931(CH-alph.), 1732s (C =O), 1604 m (NH bend.), 1251 (C–N), 1090 (C–O). 1HNMR (DMSO-d6, δ ppm, J Hz) spectrum in dicates the presence of two diastereoisomers (Fig. 3), with the trans isomer (2S,4R) being the major component (ratio 79:21) with main peaks at δ 1.78 (s, 3H, CH₃), δ 3.09 (m, 1H, C5), δ 3.44 (m, 1H, C5), δ 4.74 (m, 1H, C4), δ 6.53 (s, 1H, H-2), δ 7.26–7.92 (d, t, 10H, J =8 Hz, H-Ar), δ 8.94, 9.85 (s, 2H, NH amide)…………………. The same in the following subsections: 2.2.2.2. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(4-methoxyphenyl)thiazolidine- 4-carbohydrazide (AM2). Text: 3.1 (m), 3.45 (t, 2H, C5, J =4 Hz), 4.6 (m, 1H, C4, J = 4 Hz),………… Correction: 3.1 (m, 1H, C5), 3.45 (m, 1H, C5), 4.6 (m, 1H, C4),…………… 2.2.2.3. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(4-nitrophenyl)thiazolidine-4- carbohydrazide (AM3). Text: 3.08 (m), 3.37 (t, 1H, C5, J =4 Hz), 4.78 (m, 1H, C4, J = 4 Hz),……. Correction: 3.08 (m, 1H, C5), 3.37 (m, 1H, C5), 4.78 (m, 1H, C4),……. 2.2.2.4. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(4-chlorophenyl) thiazolidine- 4-carbohydrazide (AM4). Text: 3.04 (m), 3.6 (t, 2H, C5, J = 4 Hz), 4.67 (m, 1H, C4, J = 4 Hz),……. Correction: 3.04 (m, 1H, C5), 3.6 (m, 1H, C5), 4.67 (m, 1H, C4),……. 2.2.2.5. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(4-bromophenyl)thiazolidine-4- carbohydrazide (AM5) Text: 3.08 (m), 3.65 (t, 2H, C5, J = 8 Hz), 4.75 (m, 1H, C4, J = 8 Hz),…… Correction: 3.08 (m, 1H, C5), 3.65 (m, 1H, C5), 4.75 (m, 1H, C4),………. 2.2.2.6. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(4-tolyl)thiazolidine-4-carbohy drazide (AM6). Text: 3.28 (m), 3.43 (t, 2H, C5, J = 4 Hz), 4.98 (m, 1H, C4, J = 8 Hz),…. Correction: 3.28 (m, 1H, C5), 3.43 (m, 1H, C5), 4.98 (m, 1H, C4),……… 2.2.2.7. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(m-tolyl)thiazolidine-4-carbo hydrazide (AM7). Text: 3.08 (m), 3.44 (t, 2H, C5, J = 8 Hz), 4.7 (m, 1H, C4, J = 8 Hz),……… Correction: 3.08 (m, 1H, C5), 3.44 (m, 1H, C5), 4.7 (m, 1H, C4),………. 2.2.2.8. (2R/S,4R)-3-acetyl-N’-benzoyl-2-(m-nitrophenyl)thiazolidine-4- carbohydrazide (AM8) Text: 3.08 (m), 3.37 (t, 2H, C5, J = 4 Hz), 4.78 (m, 1H, C4, J = 4 Hz),………….… Correction: 3.08 (m, 1H, C5), 3.37 (m, 1H, C5), 4.78 (m, 1H, C4),…………………. The authors would like to apologise for any inconvenience caused. © 2025

Carvedilol was antihypertensive and antioxidant properties. It was practically water insoluble. It undergoes extensive hepatic first pass metabolism. The aim of this research to study permeability coefficient for NE, NLCs and LPHNs based nanogel through biological membrane using carvedilol as transdermal drug delivery system (TDDS). Aqueous phase titration, ultrasonic emulsion evaporation and microwave-based methods were used to prepare NE1-NE3, NLC1-NLC3 and LPHN1-LPHN3 respectively then subject to various measurements. The formulated lipid-based nanoparticles NE1-LPHN3 were employed as base to prepare lipid base nanogel G1-G9 that was compare to already prepared conventional gel of carvedilol (G). It was found colloidal features associated with the carvedilol loaded lipid-based nanoparticles NE1-LPHN3. The biomembrane permeation evaluation of G1-G9 formulations was indicated that the permeability coefficient (cm/min) of drug was significantly higher (p-value <0.05) for G1 and was significantly lower (p-value < 0.05) for conventional carvedilol gel (G). The preparation and evaluation processes were emphasized that G1-G9 suitable to deliver across biomembrane. The drug that was contained in LPHN based nanoglobules had lower ability to pass through experimental skin that gave it more ability to control drug diffusion in comparison to NE and NLCs. © RJPT All right reserved.

New chemical drugs have challenges like adverse side effects and drug release. Essential oils have applications in drug production but face limitations like solubility and instability. On the other hands, silver nanoparticles have a crucial role in the medical field. They find applications in wound dressings, medical equipment, and implant coatings. Their outstanding antimicrobial properties make them highly effective against a wide range of microorganisms. Therefore, in this study, the potential of silver nanoclusters as drug delivery vehicles was closely examined using density functional theory (DFT) computational methods. Specifically, the Ag13, Ag13-, and Ag13+ nanoclusters were considered as nano-carriers for the (5R)-(−)-carvone and (5S)-(+)-carvone molecules in the gas, water, and ethanol phases. The interaction between carvone molecules and silver nanoclusters was analyzed using DFT, quantum theory of atoms in molecules (QTAIM), the electron localization function (ELF), localized orbital locator (LOL), and density of states (DOS) methods. The results showed that the adsorption of carvone on cationic and anionic silver nanoclusters is stable, with negative adsorption energy, while adsorption on neutral nanoclusters is unstable. Weak non-covalent interactions were found between carvone and cationic/anionic nanoclusters in solvent phases, facilitating drug delivery. Adsorption on Ag13- and Ag13+ increased the polarity of the complexes, allowing solubility in polar solvents suitable for biological applications. The UV–Vis analysis showed the red-shifted absorption of [silver-nanocluster] complexes can be used for online detection of carvone compounds. Vibrational frequency calculations indicated the [silver-carvone] complexes are structurally stable, with changes in frequencies due to carvone adsorption, useful for complex identification. The molecular docking results indicated that [silver-carvone] complexes are more suitable for target receptor interactions compared to carvone alone. Consequently, the [silver-carvone] complexes exhibited suitable anti-inflammatory, anticancer, and antimicrobial activities. Notably, the anticancer activity was greater than antibacterial, which was higher than anti-inflammatory. These findings suggest the [silver-carvone] complexes have the potential to be an effective anticancer, antibacterial, and anti-inflammatory drug candidate for treating various diseases. © 2024