Synthesis, Characterization, and Comprehensive In Vitro and In Silico Evaluation of the Anti-Inflammatory Potential of Novel 1,2,3-Triazole-Arylidenehydrazide/Thiazolidinone Hybrids.

Five novel 1,2,3-triazole/arylidenehydrazide/thiazolidinone hybrid compounds (7-11) were synthesized and characterized using NMR, HRMS, IR, and HPLC purity analysis. The cytotoxicity of these compounds was evaluated on fibroblasts and THP-1 cells, showing that all compounds were nontoxic at the tested concentrations. The wound healing assay revealed that compounds 7, 9, and 10 significantly enhanced wound closure, with a 7.

New 1,1'-hydrazine-bis(phenoxy-1,2,3-triazol-acetamide) derivatives as potent inhibitors against acetylcholinesterase, butyrylcholinesterase, and α-glucosidase.

In this study, novel 1,1'-hydrazine-bis(phenoxy-1,2,3-triazol-acetamide) derivatives 10a-n were synthesized, and because of their structural features, they were evaluated against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α-glucosidase. AChE and BChE are two important targets in the treatment of Alzheimer's disease (AD), and α-glucosidase is a carbohydrate-hydrolyzing enzyme with therapeutic importance in diabetes. Furthermore, cell studies were performed on the title compounds against SH-SY5Y neuroblastoma cells as a cancer cell line and HEK293 cells as a normal cell line.

Novel thiazolidinedione hybrids as cholinesterase inhibitors and targeting neuroblastoma: design, synthesis, in vitro and in silico biological evaluations.

In this study, a novel series of eleven 3,5-disubstituted thiazolidine-2,4-dione (TZD) derivatives were rationally designed and synthesized, incorporating tertiary amine moieties to enhance cholinesterase binding. The acetamide-linked TZD scaffold was selected for its potential dual functionality: cholinesterase inhibition and cytotoxicity against neuronal cells. All compounds were evaluated for their inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), alongside cytotoxicity assays on SH-SY5Y cancerous neuroblastoma and HEK-293 healthy cells.

Antiviral activities of phenylalanine derivatives carrying carboxylic acid bioisosteres against chikungunya and parainfluenza virus type 3.

Pathogenic RNA viruses from various virus families represent substantial public health hazards. Specific antiviral drugs effective against most RNA virus infections have not yet been developed. In this study, it was aimed to investigate the broad-spectrum antiviral activities of phenylalanine derivatives designed by replacing the carboxylic acid moiety with various bioisosteres such as nitrile, hydroxamidine and 5-oxo/thioxo-1,2,4-oxadiazole.

New Quinazolin-4(3H)-One-Thiazolidine-2,4-Dione Hybrids as Dual Inhibitors of α-Glycosidase and Aldose Reductase: The Synthetic, In Vitro, and In Silico Approaches.

The impact of diabetes and its complications on individuals is profound, leading to severe health issues and reduced quality of life. This study aimed the design, synthesis, and evaluation of new quinazolin-4(3H)-one-thiazolidine-2,4-dione hybrids as dual inhibitors targeting α-glycosidase (α-Gly) and aldose reductase (ALR2), two key enzymes implicated in type 2 diabetes mellitus (T2DM) and its complications. Thirteen compounds were synthesized and characterized using FTIR, NMR, and HRMS.

Design, Synthesis, In Vitro, and In Silico Studies of 5-(Diethylamino)-2-Formylphenyl Naphthalene-2-Sulfonate Based Thiosemicarbazones as Potent Anti-Alzheimer Agents.

Alzheimer's disease (AD) is known as one of the more devastating neurodegenerative diseases diagnosed in older people. Cholinesterase inhibitors (ChEI) can be used as an effective palliative treatment for AD. An extensive range of new biologically active 4-(diethylamino) salicylaldehyde-based thiosemicarbazone derivatives 5(a-u) was synthesized and evaluated as inhibitors of cholinesterase (ChE) and monoamine oxidase (MAO) enzymes.

Synthesis of 6-ethoxyphenyl 4-fluorobenzenesulfonate-tagged thiosemicarbazones as carbonic anhydrase inhibitors: In-vitro and in silico approach.

In this study, a series of 6-ethoxyphenyl-4-fluorobenzenesulphonate-based thiosemicarbazones (5a-w) were synthesized via a two-step process and structurally characterized by H NMR and C NMR spectroscopy. Their inhibitory activities against human carbonic anhydrase isoforms I and II (hCA I and hCA II) were evaluated, revealing potent inhibition at low nanomolar concentrations with IC values ranging from 56.36 to 230.

2-Propyl-3-Aminoquinazoline-4(3H)-one Derivatives as Potential Androgen Receptor Inhibitors: Synthesis and Cytotoxicity Against PC3 Cell Line via In Vitro and In Silico Studies.

Twenty-one novel quinazolin-4(3H)-one derivatives were synthesized and evaluated for their cytotoxic effects against the PC3 prostate cancer cell line. Structural characterization was performed using FTIR, NMR, and HRMS spectroscopy. Cytotoxicity assays revealed that compound 1 exhibited the highest potency (IC = 4.

Synthesis, characterization, In vitro and In silico investigations of novel 1,2,3-triazole substituted salicylic acid phenolic hydrazones hybrids targeting TGF-β2 expression in colorectal carcinoma.

In this study, sixteen novel 1,2,3-triazole-substituted salicylic acid phenolic-hydrazone hybrids were synthesized and characterized using NMR, IR, HRMS, and HPLC techniques. The compounds were evaluated for their anticancer potential against HCT-116, Caco-2 and HT-29 colorectal carcinoma cells and normal BEAS-2B epithelial cells. Among them, compound 10k exhibited potent antiproliferative effects on HCT-116, Caco-2 and HT-29 with IC values of 6.

Quinazolin-4(3H)-One-Based New Glitazones as Dual Inhibitors of α-Glucosidase and Aldose Reductase: Comprehensive Approaches for Managing Diabetes Mellitus and Its Complications.

A series of novel glitazones containing thiazolidine-2,4-dione and quinazolin-4(3H)-one moieties were synthesized to explore their potential as dual inhibitors of aldose reductase (ALR2) and α-glucosidase (α-Glu), two key enzymes involved in diabetes and its complications. In vitro assays revealed that compounds 8 (cyclohexyl substituted), 9 (phenethyl substituted), and 11 (phenyl substituted) exhibited potent inhibitory effects on both enzymes, with 11 being the most active, showing an ALR2 inhibition (K = 0.106 µM) approximately nine times more effective than the standard epalrestat (EPR) (K = 0.

Development of phenolic Mannich bases as α-glucosidase and aldose reductase inhibitors: In vitro and in silico approaches for managing diabetes mellitus and its complications.

The rising incidence of type 2 diabetes mellitus (T2DM) and its related complications has created an urgent need for new therapeutic approaches. We herein describe the synthesis as well as biological investigation of a series of sixteen new phenolic Mannich base derivatives of thiazolidine-2,4-dione as α-glucosidase (α-Glu) and aldose reductase (ALR2) inhibitors, two crucial enzymes involved in T2DM and its complications. In vitro assays showed strong inhibitory activities, compound 12 (tetrahydroisoquinoline and α-methylcinnamyl substituted) exhibited the strongest inhibition of ALR2 (K: 0.

Design, synthesis, and aldose reductase inhibition assessment of novel Quinazolin-4(3H)-one derivatives with 4-Bromo-2-Fluorobenzene functionality.

Aldose reductase (ALR2) inhibition is a promising therapeutic strategy for managing diabetes-related complications, including neuropathy, retinopathy, and nephropathy. This study reports the design, synthesis, and biological evaluation of eighteen novel quinazolin-4(3H)-one derivatives incorporating a 4-bromo-2-fluorobenzylidene moiety as ALR2 inhibitors. Among the synthesized compounds, the cyclohexyl-substituted derivative (compound 9) exhibited the highest potency as a competitive ALR2 inhibitor, with a K of 0.

Design, Synthesis, and Evaluation of Novel Quinazolin-4(3H)-One Derivatives: Anti-Leishmanial Activity, Selectivity, and Molecular Docking Insights.

In this study, 16 novel quinazolin-4(3H)-one derivatives were synthesized and evaluated for their antileishmanial activity against Leishmania major and Leishmania donovani. Among them, compounds 2 (4-hydroxy substituted) and 9 (4-morpholino substituted) exhibited the highest efficacy, with compound 2 showing IC values of 23.94 μM for L.

Synthesis and evaluation of aldose reductase inhibition of new thiazolidine-quinazoline hybrids through in vitro and in silico approaches.

In this study, eleven novel quinazolin-4(3H)-one-thiazolidine-4-one hybrid compounds (1-11) were synthesized and evaluated for their in vitro aldose reductase (AR) inhibitory activity as potential therapeutics for diabetic complications. Structural characterization was performed using FT-IR, NMR, and HRMS techniques. The biological activity evaluation revealed that the nature of the substituents at the C2 position of the quinazoline ring significantly influenced AR inhibition.

Therapeutic Potential of Nitrogen-Substituted Oleanolic Acid Derivatives in Neuroinflammatory and Cytokine Pathways: Insights From Cell-Based and Computational Models.

This study was conducted to investigate the mechanism of the potential and anti-inflammatory properties of nitrogen-substituted oleanolic acid derivatives that can be used to treat neuroinflammatory diseases. Nitrogen-containing oleanolic acid derivatives have been evaluated for their anti-neuroinflammatory effects in vitro in neuronal and monocytic cell lines at nontoxic doses, and the production of cytokines (TNF-α, IL-6 and IL-17), the inflammatory enzyme induced nitric oxide synthase (iNOS) and NF-κB signalling under LPS-stimulated conditions, and the expression of genes associated with Alzheimer's disease have been assessed. In addition, molecular docking and molecular dynamics simulation assessments are conducted in silico.

Enhancing methane production from pistachio skin via optimized hydrothermal-alkaline pretreatment and Autoregressive Integrated Moving Average modeling.

Lignocellulosic waste materials represent one of the renewable energy sources that is both sustainable and eco-friendly. These wastes are often improperly managed and could be energetically valorized through anaerobic digestion. However, lignocellulosic waste is known to be resistant to biodegradation due to hemicellulose and lignin and, therefore, needs a pretreatment process.

Necroptotic Suppression of Lung Cancer Cell Proliferation and Migration: A Comprehensive In Vitro and In Silico Study to Determine New Molecular Targets for Pexidartinib.

In this study, the cytotoxic effects of pexidartinib (PLX), a tyrosine kinase inhibitor approved for tenosynovial giant cell tumor through inhibition of colony-stimulating factor 1 receptor (CSF1R), against A549 lung adenocarcinoma cells and Beas-2B healthy bronchial cells were investigated by in detailed in-vitro and in-silico studies. Through MTT assays, PLX demonstrated significant inhibition of A549 cell viability with IC values of 2.15 and 1.

Anticholinesterase and carbonic anhydrase inhibitory activities of natural carnosic acid derivatives: A comprehensive in vitro and in silico study.

This study investigates the anticholinesterase (acetylcholinesterase [AChE] and butyrylcholinesterase [BChE]) and carbonic anhydrase (CAI and CAII) inhibitory activities of carnosic acid and its natural derivatives, including carnosol, rosmanol, 7-methoxy-rosmanol, 12-methoxy-carnosic acid, and isorosmanol. Among the tested compounds, rosmanol demonstrated exceptional potency, with IC values of 0.73 nM for AChE and 0.

Targeting Lung Cancer With Carvacrol-Triazole-Arylidene Hydrazide Hybrids: In Vitro and In Silico Cytotoxicity Assessments.

In this study, a series of 16 arylidene hydrazide derivatives (7a-7p), hybridized with the natural product carvacrol, were successfully synthesized starting from anthranilic acid methyl ester. The cytotoxic effects of these compounds were examined against two different cell lines, A549 and BEAS-2B. Additionally, in silico studies were conducted to investigate the ligand-protein binding modes and their stabilities.

Exploring anticancer properties of new triazole-linked benzenesulfonamide derivatives against colorectal carcinoma: Synthesis, cytotoxicity, and in silico insights.

This study reports the design, synthesis, and characterization of a novel series of benzene sulfonamide-triazole hybrid derivatives, to evaluate their anticancer potential against colorectal cancer. The synthesized compounds were characterized using NMR and HRMS spectroscopic techniques. In vitro cytotoxicity assessments revealed that compounds 5g and 5j exhibited significant anticancer effects.

Synthesis, biological evaluation, and in silico studies of phenyl naphthalene-2-sulfonate derived thiosemicarbazones as potential carbonic anhydrase inhibitors.

A series of novel phenyl naphthalene-2-sulfonate-based thiosemicarbazones (5a-v) were synthesized and evaluated for their inhibitory activity against human carbonic anhydrases I and II (hCA I and hCA II). Compounds 5d and 5p demonstrated the highest inhibitory potency, with IC values of 4.32 ± 0.

Novel Nordaucane Sesquiterpenoid and Sesquiterpene Lactone From Laserpitium Species: Isolation, Structure Elucidation, In Vitro, In Vivo, and In Silico Evaluation as Anticancer Agents.

Introduction: This study explores the cytotoxic activity-guided isolation of the underground parts of Laserpitium hispidum M. Bieb and Laserpitium petrophilum Boiss. & Heldr.

Interpretation of possible biogas production capacity by investigating the effects of anaerobic digester tank geometry and angular velocity on flow characteristics.

Mixing performance in reactors producing biogas through anaerobic digestion is one of the parameters that directly affect biogas yield. The most commonly used mixing model for bioreactors in biogas-production processes is mechanical mixing. In the present study, we focus on the geometry of the tank, where the mechanical mixing actually takes place.

Bioisosteric replacement of the carboxylic acid group in Hepatitis-C virus NS5B thumb site II inhibitors: phenylalanine derivatives.

Hepatitis C virus (HCV) is a global health concern and the NS5B RNA-dependent RNA polymerase (RdRp) of HCV is an attractive target for drug discovery due to its role in viral replication. This study focuses on NS5B thumb site II inhibitors, specifically phenylalanine derivatives, and explores bioisosteric replacement and prodrug strategies to overcome limitations associated with carboxylic acid functionality. The synthesized compounds demonstrated antiviral activity, with compound 6d showing the most potent activity with an EC value of 3.

A series of quinazolin-4(3H)-one-morpholine hybrids as anti-lung-cancer agents: Synthesis, molecular docking, molecular dynamics, ADME prediction and biological activity studies.

In this study, we synthesized 15 novel quinazoline-morpholinobenzylideneamino hybrid compounds from methyl anthranilate and we assessed their cytotoxicity via in vitro assays against A549 and BEAS-2B cell lines. Molecular docking studies were conducted to evaluate the protein-ligand interactions and inhibition mechanisms on nine different molecular targets, while molecular dynamics (MD) simulations were carried out to assess the stability of the best docked ligand-protein complexes. Additionally, ADME prediction was carried out to determine physicochemical parameters and drug likeness.