Identification of novel benzothiazole-thiadiazole-based thiazolidinone derivative: in vitro and in silico approaches to develop promising anti-Alzheimer's agents

被引:0
|
作者
Khan, Shoaib [1 ]
Hussain, Rafaqat [2 ]
Iqbal, Tayyiaba [1 ]
Khan, Yousaf [3 ]
Jamal, Urooj [1 ]
Darwish, Hany W. [4 ]
Adnan, Muhammad [5 ]
机构
[1] Abbottabad Univ Sci & Technol AUST, Dept Chem, Abbottabad 22500, Pakistan
[2] Hunan Univ, Coll Biol, Changsha 410082, Hunan, Peoples R China
[3] COMSATS Univ, Dept Chem, Islamabad Campus, Islamabad 45550, Pakistan
[4] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, POB 2457, Riyadh 11451, Saudi Arabia
[5] Chungnam Natl Univ, Grad Sch Energy Sci & Technol, Daejeon 34134, South Korea
关键词
acetylcholinesterase; benzothiazole; butyrylcholinesterase; molecular docking; SAR; thiadiazole; thiazolidinone; DISEASE; ACETYLCHOLINESTERASE; BUTYRYLCHOLINESTERASE;
D O I
10.1080/17568919.2024.2366159
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Aim: The present study describes benzothiazole derived thiazolidinone based thiadiazole derivatives (1-16) as anti-Alzheimer agents. Materials & methods: Synthesis of benzothiazole derived thiazolidinone based thiadiazole derivatives was achieved using the benzothiazole bearing 2-amine moiety. These synthesized compounds were confirmed via spectroscopic techniques (H-1 NMR, C-13 NMR and HREI-MS). These compounds were biologically evaluated for their anti-Alzheimer potential. Binding interactions with proteins and drug likeness of the analogs were explored through molecular docking and ADMET analysis, respectively. In the novel series, compound-3 emerged as the most potent inhibitor when compared with other derivatives of the series. Conclusion: The present study provides potent anti-Alzheimer's agents that can be further optimized to discover novel anti-Alzheimer's drugs.
引用
收藏
页码:1601 / 1613
页数:13
相关论文
共 34 条
  • [21] Imino-2H-Chromene Based Derivatives as Potential Anti-Alzheimer's Agents: Design, Synthesis, Biological Evaluation and in Silico Study
    Attarroshan, Mahshid
    Firuzi, Omidreza
    Iraji, Aida
    Sharifi, Shahrzad
    Tavakkoli, Marjan
    Vesal, Mahmmod
    Khoshneviszadeh, Mahsima
    Pirhadi, Somayeh
    Edraki, Najmeh
    CHEMISTRY & BIODIVERSITY, 2022, 19 (01)
  • [22] Curcumin Analogues as Novel Anti-Alzheimer's Candidates: Synthesis Development Strategy, In vitro, Cell-Based and In vivo Studies
    Anas, Yance
    Susidarti, Ratna Asmah
    Yuniarti, Nunung
    Martien, Ronny
    INDONESIAN JOURNAL OF PHARMACY, 2022, 33 (04): : 493 - 514
  • [23] Design, Synthesis, in vitro biological evaluation and in silico molecular docking study of chloro substituted Benzimidazole-Thiazole hybrid derivatives as potential Anti-Alzheimer ' s agents
    Kaleem, Sana
    Ullah, Hayat
    Nabi, Muhammad
    Hussain, Rafaqat
    Khan, Shoaib
    Sajid, Muhammad
    Iqbal, Naveed
    Rahim, Fazal
    Iqbal, Tayyiaba
    Hussain, Amjad
    Iqbal, Rashid
    Zahid, Zunaira
    Mohany, Mohamed
    Aghayeva, Saltanat
    RESULTS IN CHEMISTRY, 2024, 8
  • [24] Identification of 1,2,4-triazole-bearing Bis-Schiff base hybrid scaffolds: In vitro and in silico insights to develop promising anti-urease and anti-cancer agents
    Khan, Shoaib
    Hussain, Rafaqat
    Ullah, Hayat
    Khan, Yousaf
    Iqbal, Tayyiaba
    Anwar, Saeed
    Iqbal, Rashid
    Khan, Ihsan Ullah
    Almoallim, Hesham S.
    Ansari, Mohammad Javed
    RESULTS IN CHEMISTRY, 2024, 7
  • [25] In Silico Identification and Experimental Validation of Novel Anti-Alzheimer's Multitargeted Ligands from a Marine Source Featuring a "2-Aminoimidazole plus Aromatic Group" Scaffold
    Vitale, Rosa Maria
    Risvli, Vincenzo
    Desidero, Doriana
    Sgammato, Roberta
    Thellung, Stefano
    Canale, Claudio
    Vassalli, Massimo
    Carbon, Marianna
    Ciavatta, Maria Letizia
    Mollo, Ernesto
    Felicita, Vera
    Arcone, Rosaria
    Capoggiani, Margherita Gavagnin
    Masullo, Mariorosario
    Florio, Tullio
    Amodeo, Pietro
    ACS CHEMICAL NEUROSCIENCE, 2018, 9 (06): : 1290 - 1303
  • [26] Isolation and Identification of a Novel Anti-Dry Eye Peptide from Tilapia Skin Peptides Based on In Silico, In Vitro, and In Vivo Approaches
    Zeng, Jian
    Lin, Cuixian
    Zhang, Shilin
    Yin, Haowen
    Deng, Kaishu
    Yang, Zhiyou
    Zhang, Yongping
    Liu, You
    Hu, Chuanyin
    Zhao, Yun-Tao
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 24 (16)
  • [27] Exploring the Potential Biological Activities of Pyrazole-Based Schiff Bases as Anti-Diabetic, Anti-Alzheimer's, Anti-Inflammatory, and Cytotoxic Agents: In Vitro Studies with Computational Predictions
    Naglah, Ahmed M.
    Almehizia, Abdulrahman A.
    Al-Wasidi, Asma S.
    Alharbi, Amirah Senaitan
    Alqarni, Mohammed H.
    Hassan, Ashraf S.
    Aboulthana, Wael M.
    PHARMACEUTICALS, 2024, 17 (05)
  • [28] Structure-Based Virtual Screening and in vitro and in vivo Analyses Revealed Potent Methyltransferase G9a Inhibitors as Prospective Anti-Alzheimer's Agents
    Bellver-Sanchis, Aina
    Singh Choudhary, Bhanwar
    Companys-Alemany, Julia
    Sukanya
    avila-Lopez, Pedro A.
    Martinez Rodriguez, Anton Leandro
    Brea Floriani, Jose Manuel
    Malik, Ruchi
    Pallas, Merce
    Perez, Belen
    Grinan-Ferre, Christian
    CHEMMEDCHEM, 2022, 17 (13)
  • [29] Evaluation of Novel Dual Acetyl- and Butyrylcholinesterase Inhibitors as Potential Anti-Alzheimer's Disease Agents Using Pharmacophore, 3D-QSAR and Molecular Docking Approaches
    Pang, Xiaocong
    Fu, Hui
    Yang, Shilun
    Wang, Lin
    Liu, Ai-Lin
    Wu, Song
    Du, Guan-Hua
    MOLECULES, 2017, 22 (08)
  • [30] Per-Residue Energy Footprints-Based Pharmacophore Modeling as an Enhanced In Silico Approach in Drug Discovery: A Case Study on the Identification of Novel β-Secretase1 (BACE1) Inhibitors as Anti-Alzheimer Agents
    Kumalo, H. M.
    Soliman, Mahmoud E.
    CELLULAR AND MOLECULAR BIOENGINEERING, 2016, 9 (01) : 175 - 189