4.7 Article

Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2,4-dione derivatives: molecular dynamic simulation, POM study and identification of antitumor pharmacophore sites

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

Coumarin derivative as a potent drug candidate against triple negative breast cancer targeting the frizzled receptor of wingless-related integration site signaling pathway

Akshay Uttarkar et al.

Summary: This study evaluated the therapeutic effect of a coumarin derivative called 2-(2-(6-methyl-2-hydroxy-chromen-4-yl)acetamido)-3-phenylpropanoic acid on triple negative breast cancer. The compound was found to bind with Frizzled-7 protein and showed inhibitory effects on breast cancer cell lines in vitro.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2023)

Article Biochemistry & Molecular Biology

In silico evaluation of molecular interactions between macrocyclic inhibitors with the HCV NS3 protease. Docking and identification of antiviral pharmacophore site

Hind Lafridi et al.

Summary: This study used computational methods and molecular docking to analyze the drug properties and binding interactions of 13 inhibitor derivatives. By developing QSAR models, it was found that there is a significant correlation between the electron-accepting ability of these compounds and their interactions with HCV NS3 protease. Additionally, POM analysis revealed the presence of antiviral pockets and the binding mode of the most active compound with NS3 protease.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2023)

Article Biochemistry & Molecular Biology

New benzothiazole hybrids as potential VEGFR-2 inhibitors: design, synthesis, anticancer evaluation, and in silico study

Mohammad M. Al-Sanea et al.

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2023)

Article Biochemistry & Molecular Biology

In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones

Sangar Ali Hassan et al.

Summary: In this study, Schiff bases and Thiazolidin-4-ones were synthesized using Sonication and Microwave techniques, respectively. The synthesized compounds displayed better antimicrobial and antioxidant activity and low toxicity in comparison to reference drugs and negative controls, respectively.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2023)

Article Chemistry, Physical

Design and synthesis of oxazepine derivatives from sulfonamide Schiff bases as antimicrobial and antioxidant agents with low cytotoxicity and hemolytic prospective

Sangar Ali Hassan et al.

Summary: The eco-friendly sonication and microwave irradiation techniques were used to synthesize the Schiff base platform from sulfathiazole, which was further converted to oxazepane derivatives. The derivatives exhibited significant antimicrobial activity and low toxicity. In addition, the compounds showed bioactive and antioxidant properties, and the structural properties and interactions were explored via density functional theory and molecular docking studies.

JOURNAL OF MOLECULAR STRUCTURE (2023)

Article Biochemistry & Molecular Biology

Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulation

Aso Hameed Hasan et al.

Summary: A series of novel chalcone based coumarin derivatives were designed and evaluated as AChE inhibitors for the treatment of Alzheimer's disease, showing significant inhibitory activity with compound 23e being the most potent. In vitro assessment demonstrated no significant cytotoxicity of the compounds at high concentrations.

BIOORGANIC CHEMISTRY (2022)

Article Chemistry, Physical

Antitumor activity, X-Ray crystallography, in silico study of some-sulfamido-phosphonates. Identification of pharmacophore sites

Malika Berredjem et al.

Summary: Sulfamidophosphonate derivatives were evaluated for their in vitro antitumor activity and molecular docking studies were performed to evaluate their potential as human carbonic anhydrase I inhibitors; the most active compound showed key interactions with specific amino acids through hydrogen bonds and generated numerous aromatic and van der Waals interactions at the binding site; additionally, one compound crystallized in the triclinic crystal system and bioinformatic analysis confirmed the existence of other interesting pharmacophore sites.

JOURNAL OF MOLECULAR STRUCTURE (2022)

Article Chemistry, Medicinal

Synthesis and biological activities of new phthalimide and thiazolidine derivatives

Flaviana A. Santos et al.

Summary: The synthesis of novel derivatives, particularly FT-12, exhibited anti-proliferative activity against multiple cancer cells, causing cell cycle arrest and death. These compounds show potential in cancer therapy, with FT-12 (9j) as a promising candidate, but further studies are needed to confirm their potential.

MEDICINAL CHEMISTRY RESEARCH (2022)

Article Biochemistry & Molecular Biology

Discovery Potent of Thiazolidinedione Derivatives as Antioxidant, α-Amylase Inhibitor, and Antidiabetic Agent

Manal Y. Sameeh et al.

Summary: This study aimed to synthesize safe antihyperglycemic derivatives with a thiazolidinedione fragment. The authors used spectral data to discuss the interaction between the derivatives and the biological receptor. They evaluated the effects of the derivatives on alpha-amylase inhibition and radical scavenging ability. Compound 6 exhibited the highest potency and radical scavenging ability. In vivo studies showed that compounds 6 and 11 significantly reduced blood glucose levels. All compounds showed normal values for tested biochemical parameters and had good oral bioavailability without observed carcinogenesis effects.

BIOMEDICINES (2022)

Article Biochemistry & Molecular Biology

In vitro potential antiviral SARS-CoV-19-activity of natural product thymohydroquinone and dithymoquinone from Nigella sativa

Eman R. Esharkawy et al.

Summary: Inflammation, oxidation, and compromised immunity increase the risks of COVID-19, but consuming sources of vitamin E and zinc can boost immunity. Nigella sativa, a renowned herbal remedy, can be used to increase immunity and reduce the dangers of acute respiratory distress syndrome. A recent study aims to explore the antiviral activity of two compounds, Thymohydroquinone and Dithymoquinone, derived from Nigella sativa, showing promising results against SARS-CoV-2.

BIOORGANIC CHEMISTRY (2022)

Article Biotechnology & Applied Microbiology

Antibacterial and antibiofilm activities of thiazolidine-2,4-dione and 4-thioxo-thiazolidin-2-one derivatives against multidrug-resistant Staphylococcus aureus clinical isolates

Kesia X. F. R. Sena et al.

Summary: This study aimed to compare the antibacterial effects of two analogue series of thiazolidine-2,4-dione and 4-thioxo-thiazolidin-2-one against multidrug-resistant Staph. aureus clinical isolates. The results showed that one of the analogues demonstrated strong bactericidal effects against Staph. aureus and inhibited biofilm formation. Additionally, the analogue increased the survival rate of Caenorhabditis elegans in an in vivo infection model. It also had no cytotoxicity on human peripheral blood mononuclear cells but showed moderate cytotoxicity on L929 fibroblasts.

JOURNAL OF APPLIED MICROBIOLOGY (2022)

Article Chemistry, Medicinal

Petra/Osiris/Molinspiration and Molecular Docking Analyses of 3-Hydroxy-Indolin-2-one Derivatives as Potential Antiviral Agents

Taibi Ben Hadda et al.

Summary: This study focused on investigating the structural parameters and physico-chemical properties of 22 compounds with antiviral/antitumor/antibacterial potential. A computational model was used to identify the key physico-chemical parameters governing the bioactivity of these compounds, and molecular docking studies were conducted with HIV-1 integrase to analyze interactions at the binding site. The results highlighted the importance of oxygen atoms and electrophilic amide nitrogen atoms in forming interactions, and the activity enhancement of certain compounds was attributed to intra-molecular charge transfer.

CURRENT COMPUTER-AIDED DRUG DESIGN (2021)

Article Pharmacology & Pharmacy

Inhibitory effect of a novel thiazolidinedione derivative on hepatitis B virus entry

Tomohisa Tanaka et al.

Summary: Novel antivirals for treating chronic HBV infection are still needed, and in this study, compound 6 among 11 TZD derivatives showed the highest antiviral activity against HBV, while not affecting HCV infection. Compound 6 was found to inhibit HBV infection by interfering with the internalization process.

ANTIVIRAL RESEARCH (2021)

Article Biochemistry & Molecular Biology

Synthesis, biological activity and POM/DFT/docking analyses of annulated pyrano [2,3-d] pyrimidine derivatives: Identification of antibacterial and antitumor pharmacophore sites

Ajmal R. Bhat et al.

Summary: New annulated pyrano[2,3-d]pyrimidine derivatives with various substituents have shown significant impact on antibacterial activity. It is crucial to consider the electronic effects of substituents in drug design, and key pharmacophore sites have been identified.

BIOORGANIC CHEMISTRY (2021)

Review Infectious Diseases

Antimicrobial Treatment Strategies for Stenotrophomonas maltophilia: A Focus on Novel Therapies

Jean Gibb et al.

Summary: Stenotrophomonas maltophilia is a urgent global threat due to its increasing incidence and intrinsic antibiotic resistance, but approved antibiotics in recent years have limited activity for it. Novel treatment strategies for Stenotrophomonas are desperately needed. Recommendations based on current evidence for a treatment strategy of Stenotrophomonas infection are offered after a systemic literature review.

ANTIBIOTICS-BASEL (2021)

Article Chemistry, Physical

Thiazolidine-2,4-dione derivative in 2-hydroxypropyl-β-cyclodextrin solutions: Complexation/solubilization, distribution and permeability

Tatyana V. Volkova et al.

Summary: This study investigates the physicochemical properties of the novel potential antifungal compound TZD in the presence of 2HP-beta-CD, focusing on solubility, distribution, and membrane permeability. The experiments were carried out at different temperatures and pH values to predict the behavior of TZD in biological media. The results provide insights into the role of hydrogen bonding and the permeation of TZD across stomach and intestine membranes.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Biochemistry & Molecular Biology

Synthesis, characterization, and evaluation of antimicrobial activity of novel Chitosan/Tigecycline composite

A. A. Menazea et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2020)

Article Chemistry, Multidisciplinary

DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site

Khadidja Otmane Rachedi et al.

INDONESIAN JOURNAL OF CHEMISTRY (2020)

Review Biotechnology & Applied Microbiology

A conceptual review of rhodanine: current applications of antiviral drugs, anticancer and antimicrobial activities

Seyyed Mojtaba Mousavi et al.

ARTIFICIAL CELLS NANOMEDICINE AND BIOTECHNOLOGY (2019)

Article Chemistry, Multidisciplinary

Synthesis, SAR and in vitro therapeutic potentials of thiazolidine-2,4-diones

Sucheta et al.

CHEMISTRY CENTRAL JOURNAL (2018)

Review Medicine, Research & Experimental

Plant bioactive molecules bearing glycosides as lead compounds for the treatment of fungal infection: A review

Haroon Khan et al.

BIOMEDICINE & PHARMACOTHERAPY (2017)

Article Chemistry, Physical

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

Edward Harder et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Chemistry, Medicinal

Synthesis, in vitro and in silico studies of a PPARγ and GLUT-4 modulator with hypoglycemic effect

Gabriel Navarrete-Vazquez et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2014)

Article Biotechnology & Applied Microbiology

Synthesis and Antimicrobial Activities of 5-Arylidene-thiazolidine-2,4-dione Derivatives

Ivanildo Mangueira da Silva et al.

BIOMED RESEARCH INTERNATIONAL (2014)

Article Chemistry, Medicinal

Synthesis and biological activity evaluation of 5-pyrazoline substituted 4-thiazolidinones

Dmytro Havrylyuk et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2013)

Article Chemistry, Medicinal

Antibacterial, antifungal and antioxidant activity of some new water-soluble β-diketones

Javed Sheikh et al.

MEDICINAL CHEMISTRY RESEARCH (2013)

Article Chemistry, Medicinal

CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines

Devidas T. Mahajan et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2012)

Article Chemistry, Medicinal

Design and synthesis of 5-(substituted benzylidene)thiazolidine-2,4-dione derivatives as novel tyrosinase inhibitors

Young Mi Ha et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2012)

Article Chemistry, Physical

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions

Mats H. M. Olsson et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Medicinal

Synthesis and primary cytotoxicity evaluation of new 5-benzylidene-2, 4-thiazolidinedione derivatives

Vijay Patil et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)

Article Chemistry, Medicinal

Synthesis and in vitro anticancer activity of 2,4-azolidinedione-acetic acids derivatives

Danylo Kaminskyy et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2009)

Article Chemistry, Medicinal

Synthesis of novel thiazolone-based compounds containing pyrazoline moiety and evaluation of their anticancer activity

Dmytro Havrylyuk et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2009)

Article Pharmacology & Pharmacy

Antiinflammatory, Analgesic and Antipyretic Activity of Certain Thiazolidinones

A. D. Taranalli et al.

INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES (2008)

Article Biochemistry & Molecular Biology

Synthesis and antimicrobial activity of novel 2-thiazolylimino-5-arylidene-4-thiazolidinones

P Vicini et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2006)

Article Biochemistry & Molecular Biology

5-arylidene-2-imino-4-thiazolidinones:: Design and synthesis of novel anti-inflammatory agents

R Ottanà et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2005)

Article Biochemistry & Molecular Biology

Cross-linking in the living cell locates the site of action of oxazolidinone antibiotics

JR Colca et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2003)

Article Microbiology

Inhibitors of pantothenate kinase: Novel antibiotics for staphylococcal infections

AE Choudhry et al.

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2003)

Article Microbiology

Biological properties of novel antistaphylococcal quinoline-indole agents

B Oliva et al.

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2003)

Article Chemistry, Physical

Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K

P Mark et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)