Buchumschlag

Pyrimidine Derivatives Containing a Thiosemicarbazide Moiety as Potential Antioxidant and α‐Glucosidase Inhibitors: Synthesis, Bioactivity Evaluation, Molecular Docking, Molecular Dynamics Simulation, ADMET, and Drug‐Likeness Studies

Fuente: Wiley Open Access

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Pei Li, Qing Liu, Yongxiang Wu, Wenmin Pan, You Zhang, Xiang Wang
Format:	Artículo Open Access
Veröffentlicht:	Wiley 2026
Schlagworte:	Chemistry & Biodiversity
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Synthesis, Bioactivity Evaluation, Molecular Docking, ADMET , and Drug‐Likeness Studies of 4‐Chromanone Derivatives Containing a Thiosemicarbazone Moiety as Potential Antioxidants and α‐Glucosidase Inhibitors
von: Tiantian Zhuang, et al.
Veröffentlicht: (2025)

Synthesis of Novel Soritin Sulfonamide Derivatives as Potential α‐Glucosidase Inhibitor and Their Molecular Docking Studies
von: Nurul Alam Inayatsyah, et al.
Veröffentlicht: (2024)

Evaluation of 2‐Aminothiazoles as α‐Glucosidase Inhibitors: DFT, Molecular Docking, and Antioxidant Studies
von: Arzu Öztürk Kesebir, et al.
Veröffentlicht: (2025)

Synthesis and Molecular Docking of Curcumin‐Derived Pyrazole‐Thiazole Hybrids as Potent α‐Glucosidase Inhibitors
von: Jehan Y. Al‐Humaidi, et al.
Veröffentlicht: (2024)

Pyrimidine Based Inhibitors Targeting Glutathione S‐Transferase in Phase II Detoxification: Antioxidant, ADMET, Docking, and Molecular Dynamics Evaluation
von: Fikret Türkan, et al.
Veröffentlicht: (2025)

α‐Glucosidase Inhibitory Activity of Prenylated Pyranocoumarins from Clausena excavata: Mechanism of Action, ADMET and Molecular Docking
von: Worrawat Promden, et al.
Veröffentlicht: (2024)

Synthesis, Molecular Docking, and Pharmacological Evaluations of Novel Pyrimidine Derivatives
von: Hemat S. Khalaf, et al.
Veröffentlicht: (2025)

Exploration of Potent Human α‐Glucosidase Inhibitors Using In Silico Approaches: Molecular Docking, DFT, Molecular Dynamics Simulations, and MMPBSA
von: Jyoti Bashyal, et al.
Veröffentlicht: (2024)

Identification of Potent Inhibitors of Alzheimer's Disease Based on Benzodioxin‐Thiosemicarbazide Analogues and Molecular Docking Study
von: Muhammad Taha, et al.
Veröffentlicht: (2025)

Exploring Potential COX‐2 Inhibitors of Ibuprofen Derivatives: Integrating DFT, Molecular Docking, Molecular Dynamics Simulations, ADMET with FEL and MMPBSA Analyses
von: Niloy Bhattacharjee, et al.
Veröffentlicht: (2025)

Design, Synthesis of Novel Pyrimidine Derivatives Containing Alkenyl Moieties With Herbicidal Activities
von: Wenliang Zhang, et al.
Veröffentlicht: (2024)

Corrigendum: Synthesis of Flurbiprofen Based Amide Derivatives as Potential Leads for Diabetic Management: In Vitro α‐Glucosidase Inhibition, Molecular Docking and DFT Simulation Approach
Veröffentlicht: (2024)

Exploring 2,4‐Disubstituted Pyrimidines as Antioxidant Agents: Synthesis, Drug‐Like Properties, and Molecular Docking Studies With 1hrc and 7t9l
von: Jeelan Basha N, et al.
Veröffentlicht: (2025)

Multi‐Technique Investigation of Pyrimidine‐2‐thione Azo Dyes as AKT Signaling Inhibitors: Synthesis, NCI, ELF, LOL, Molecular Docking, and ADMET Studies
von: Ahmed A. Noser, et al.
Veröffentlicht: (2026)

Design and Synthesis of β‐Carboline Hydrazone Hybrids as New α‐Amylase and α‐Glucosidase Inhibitors: Inhibition Kinetics and Molecular Docking Studies
von: Manal Al‐Sharafi, et al.
Veröffentlicht: (2025)

Lactoperoxidase Inhibition of Celecoxib Derivatives Containing the Pyrazole Linked‐Sulfonamide Moiety: Antioxidant Capacity, Antimicrobial Activity, and Molecular Docking Studies
von: Songül Bayrak, et al.
Veröffentlicht: (2024)

Interaction Mechanism Between Andrographolide and α‐Glucosidase: Multispectroscopy and Molecular Docking Analyses
von: Nian‐Min Wang, et al.
Veröffentlicht: (2025)

Design, Synthesis, and Molecular Docking of Pyrido[3,4‐ d ] Pyrimidine Derivatives: Unveiling Their Anticancer Potential
von: Kiran Pokharkar, et al.
Veröffentlicht: (2025)

Synthesis, Antimicrobial and Antioxidant Activity With ADMET Prediction, Molecular Docking, and Dynamics Studies of Novel Thiazole‐Schiff Base Derivatives
von: Rownok Jahan, et al.
Veröffentlicht: (2025)

Highly Efficient One‐Pot Synthesis and Molecular Docking Studies of Pyrimido[4,5‐ b ]Quinoline and Pyrido[2,3‐ d ]Pyrimidine Derivatives as Potential α ‐Amylase Inhibitors
von: Hemant Kumar Rundla, et al.
Veröffentlicht: (2026)

Synthesis, Antimicrobial and Antioxidant Activity with in silico ADMET Prediction, Molecular Docking and Dynamics Studies of Carbazole Ring Containing Thiazole Schiff Bases
von: Sumita Saznin Marufa, et al.
Veröffentlicht: (2024)

Antidiabetic Potential of Synthesized Ferrocenylmethylaniline Derivatives: Insights From In Vitro Studies, Molecular Docking, ADMET, DFT Calculations, and Molecular Dynamics Simulation
von: Yahia Bekkar, et al.
Veröffentlicht: (2025)

Computational Studies of Novel Aniline Pyrimidine WDR5‐MLL1 Inhibitors: QSAR, Molecular Docking, and Molecular Dynamics Simulation
von: Li Yuan Guo, et al.
Veröffentlicht: (2024)

Synthesis of para ‐Carboxamidostilbene Derivatives as Antihyperglycemia Agents and Their In Silico ADMET and Molecular Docking Studies
von: Babai Mahdi, et al.
Veröffentlicht: (2024)

Computational Insights into Imidazole‐Phenazine Derivatives as Potential α‐Glucosidase Inhibitors: Docking, Dynamics, Free Energy, and Quantum Studies
von: Miah Roney, et al.
Veröffentlicht: (2025)

Design, Synthesis, Molecular Docking, ADME ‐T and In Vitro Anticancer Assessment of Phenyl‐Substituted‐Pyrimidin‐Benzenesulfonamide Derivatives as Potential BRAF V600E / WT Inhibitors
von: Ankit Kumar Singh, et al.
Veröffentlicht: (2025)

Carbazole Tethered Triazoles as Potential NS5A/NS5B Inhibitors: Synthesis, Molecular Docking, MD Simulation, ADMET and DFT Studies
von: Saba Munawar, et al.
Veröffentlicht: (2026)

Synthesis, In Silico Molecular Docking and ADMET Analysis of New Chalcones as Potential Antimicrobial Agents
von: Akhlesh Kumari, et al.
Veröffentlicht: (2025)

Exploring New Thiosemicarbazide Derivatives Bearing Imidazolidine Ring as Potential Antimicrobial Agents: Design, Synthesis, and Molecular Dynamics Studies
von: Faika Başoğlu, et al.
Veröffentlicht: (2026)

Design, Synthesis and Molecular Docking of New Thieno[2,3‑d]Pyrimidin‐4‐One Derivatives as Dual EGFR and FGFR Inhibitors
von: Sara Sultan, et al.
Veröffentlicht: (2025)

Synthesis and Biological Evaluation of Thiazolyl–Pyrimidine Hybrids as Potential Antiproliferative Agents With Molecular Docking Insights
von: Sobhi M. Gomha, et al.
Veröffentlicht: (2025)

Identification of Potential α‐Amylase and α‐Glucosidase Inhibitors From Croton Macrostachyus Stem Bark: Kinetic Studies and In Silico ADMET Prediction
von: Daniel W. Nyongesa, et al.
Veröffentlicht: (2026)

Design, Synthesis, and Biological Evaluation of 1,2,3‐Triazole‐Quinazolinone Derivatives as Promising α‐Glucosidase Inhibitors with Favorable Drug‐Like Properties
von: Teesuda Sirichai, et al.
Veröffentlicht: (2025)

Novel α‐glucosidase Inhibitors Designed as Type 2 Diabetes Drugs by QSAR, Molecular Docking and Molecular Dynamics Simulation Methods
von: Jianbo Tong, et al.
Veröffentlicht: (2024)

Identification of Potential DCAF1 Inhibitors Through Virtual Screening Based on Molecular Docking and Molecular Dynamics Simulations
von: Bing Liao, et al.
Veröffentlicht: (2025)

Integrated Computational Approach for Designing Novel Pyridone‐Based α‐Glucosidase Inhibitors: Insights From 2D‐QSAR, Molecular Docking, Molecular Dynamics Simulations, and MM‐GBSA Analysis
von: Bouchra Rossafi, et al.
Veröffentlicht: (2025)

Stereoselective Synthesis and Characterization of Eudesmane Derivatives From α‐Costic Acid: DFT Approach and In Silico Evaluation Through Molecular Docking, MD Simulations, and ADMET Analysis
von: Mohammed Tebbaa, et al.
Veröffentlicht: (2025)

Molecular Docking, Molecular Dynamics, pkCSM Drug‐Likeness Profiles, Toxicity, and DFT Study of the Antioxidant and Anticancer Activities of Three Flavonoid Derivatives
von: Samiha Karoui, et al.
Veröffentlicht: (2024)

Synthesis, Antioxidant, and Antidiabetic Potential of Ferrocenylmethylnucleobase Compounds: In Vitro, In Silico Molecular Docking, DFT Calculation, and Molecular Dynamic Simulations
von: Aicha Adaika, et al.
Veröffentlicht: (2025)

Isoindolinone Derivatives: Synthesis, In Vitro Anticancer, Antioxidant, and Molecular Docking Studies
von: Prabhakaran Jayaraj, et al.
Veröffentlicht: (2025)