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Accelerating Drug Discovery Using GenFold-AI for Protein Structure Prediction in Genetic Disease Research

Sardor KamolovSamarkand State Medical University,Department of Surgical Diseases No. 2,Samarkand,UzbekistanYokubjon KhursanovSamarkand State Medical University,Department of Surgical Diseases No. 2,Samarkand,UzbekistanOrzu SokhibnazarovSamarkand State Medical University,Department of Neurology,Samarkand,UzbekistanShuhrat AkhmedovSamarkand State Medical University,Department of Surgical Diseases No. 2,Samarkand,UzbekistanZilola DjurayevaSamarkand State Medical University,Department of Endocrinology,Samarkand,UzbekistanZahraa NUniversity of Hilla,Faculty of Sciences,Medical Physics Department,Babylon,Iraq,51011Abdulkareem A. Jasim AbushraidaUniversity of Al-Ameed Karbala,College of Dentistry,IraqSajad Ali ZearahAl-Ayen University,Technical Engineering College,Department of Computer Technology Engineering,Thi-Qar,Iraq
2025
ABI

Annotatsiya

Accelerating drug development depends on accurate prediction of protein structure, especially in relation to genetic illness studies. Although AlphaFold2 has greatly improved wild-type protein modelling, structural change prediction from genetic mutations still presents a difficulty. To introduce proposed technique named as GenFold-AI, an advanced sophisticated framework enhancing mutant protein structure predictions by combining AlphaFold2 with Molecular Dynamics (MD) simulations. MD simulations improve the stability evaluation of mutant proteins by including dynamic conformational changes and atomic-level interactions. Additionally investigate, using a yeast-based complementing sensor, the effects of insertions and deletions (indels) on protein folds. Experimental validation shows that GenFold-AI beats AlphaFold2 in forecasting structural changes caused by mutations, hence producing more consistent therapeutic target identification. By enhancing the accuracy of disease-associated mutation modelling and refining protein function analysis, this method speeds up drug development and thereby advances treatments for genetic conditions.

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