Identification of active compounds as novel dipeptidyl peptidase-4 inhibitors through machine learning and structure-based molecular docking simulations

Shahid Ali, Sibhghatulla Shaikh, Khurshid Ahmad, Inho Choi
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Abstract

The enzyme dipeptidyl peptidase 4 (DPP4) is a potential therapeutic target for type 2 diabetes (T2DM). Many synthetic anti-DPP4 medications are available to treat T2DM. The need for secure and effi...
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通过机器学习和基于结构的分子对接模拟,将活性化合物鉴定为新型二肽基肽酶-4 抑制剂
二肽基肽酶 4(DPP4)是 2 型糖尿病(T2DM)的潜在治疗靶点。许多合成的抗 DPP4 药物可用于治疗 T2DM。需要安全、有效的抗DPP4药物来治疗T2DM。
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