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Identification of novel benzothiazole-thiadiazole-based thiazolidinone derivative: in vitro and in silico approaches to develop promising anti-Alzheimer's agents.
Khan, Shoaib; Hussain, Rafaqat; Iqbal, Tayyiaba; Khan, Yousaf; Jamal, Urooj; Darwish, Hany W; Adnan, Muhammad.
Afiliação
  • Khan S; Department of Chemistry, Abbottabad University of Science & Technology (AUST), Abbottabad 22500, Pakistan.
  • Hussain R; College of Biology Hunan University, Changsha, Hunan 410082, P. R. China.
  • Iqbal T; Department of Chemistry, Abbottabad University of Science & Technology (AUST), Abbottabad 22500, Pakistan.
  • Khan Y; Department of Chemistry, COMSATS University Islamabad Campus, Islamabad 45550, Pakistan.
  • Jamal U; Department of Chemistry, Abbottabad University of Science & Technology (AUST), Abbottabad 22500, Pakistan.
  • Darwish HW; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
  • Adnan M; Graduate School of Energy Science & Technology, Chungnam National University, Daejeon 34134, Republic of Korea.
Future Med Chem ; 16(16): 1601-1613, 2024 Aug 17.
Article em En | MEDLINE | ID: mdl-38940467
ABSTRACT

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 (1H NMR, 13C 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.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Tiadiazóis / Benzotiazóis / Doença de Alzheimer / Simulação de Acoplamento Molecular Limite: Humans Idioma: En Revista: Future Med Chem Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Paquistão

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Tiadiazóis / Benzotiazóis / Doença de Alzheimer / Simulação de Acoplamento Molecular Limite: Humans Idioma: En Revista: Future Med Chem Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Paquistão
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