Redefining a new frontier in alkaptonuria therapy with AI-driven drug candidate design via

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Tác giả: Thamer H Albekairi, Imran Ali, Tariq Aziz, Mahnoor Fatima, Khushbakht Javed, Ayaz Ali Khan, Muhammad Naveed, Ali Zafar

Ngôn ngữ: eng

Ký hiệu phân loại:

Thông tin xuất bản: Germany : Zeitschrift fur Naturforschung. C, Journal of biosciences , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 677193

A rare metabolic condition called alkaptonuria (AKU) is caused by a decrease in homogentisate 1,2 dioxygenase (HGO) activity due to a mutation in homogentisate dioxygenase (HGD) gene. Homogentisic acid is a byproduct of the catabolism of tyrosine and phenylalanine that darkens the urine and accumulates in connective tissues which causes an agonizing arthritis. Employing the use of deep learning artificial intelligence (AI) drug design, this study aims to alleviate the current toxicity of the AKU drugs currently in use, particularly nitisinone, by utilizing the natural flavanol kaempferol molecule as a 4-hydroxyphenylpyruvate dioxygenase inhibitor. Kaempferol was employed to generate three effective
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