Exploring LDLR-APOB Interactions in Familial Hypercholesterolemia in the Vietnamese Population: A Protein-Protein Docking Approach DOI Creative Commons
Ngoc‐Thanh Kim,

Doan‐Loi Do,

Mai‐Ngoc Thi Nguyen

и другие.

Bioinformatics and Biology Insights, Год журнала: 2024, Номер 18

Опубликована: Янв. 1, 2024

Atherosclerotic cardiovascular diseases (CVDs) are closely linked to factors such as familial hypercholesterolemia (FH), often caused by mutations in low-density lipoprotein receptor ( LDLR) and apolipoprotein B APOB). Through a comprehensive bioinformatic analysis, we identified novel LDLR APOB their disease (CVD) implications, focusing on unique variants the Vietnamese population. We used homology modeling predict protein structures; addition, through protein-protein molecular docking, assessed how these affect binding affinities. 10 residues exclusive wild-type precursor isoforms, including ASP-47, GLY-48, GLU-51. Analyses of 154 complexes revealed 5 isoforms with low affinities notable hydrogen-bonding interactions—APOB (Arg3527Trp)-LDLR (Cys318Arg), (His3583Leu)-LDLR (Cys104Tyr), wild-LDLR (Glu228Lys), (Phe2469Cys)-LDLR (Glu288Lys), (Ser130Ter). These results suggest strong potentially detrimental interactions among proteins. Furthermore, they highlight mechanisms underlying CVD development, reveal potential therapeutic targets, enhance our understanding genetic variations, could guide FH research.

Язык: Английский

A mini review on the applications of artificial intelligence (AI) in surface chemistry and catalysis DOI

Faisal Al-Akayleh,

Ahmed S.A. Ali Agha,

Rami A. Abdel Rahem

и другие.

Tenside Surfactants Detergents, Год журнала: 2024, Номер 61(4), С. 285 - 296

Опубликована: Апрель 29, 2024

Abstract This review critically analyzes the incorporation of artificial intelligence (AI) in surface chemistry and catalysis to emphasize revolutionary impact AI techniques this field. The current examines various studies that using techniques, including machine learning (ML), deep (DL), neural networks (NNs), catalysis. It reviews literature on application models predicting adsorption behaviours, analyzing spectroscopic data, improving catalyst screening processes. combines both theoretical empirical provide a comprehensive synthesis findings. demonstrates applications have made remarkable progress properties nanostructured catalysts, discovering new materials for energy conversion, developing efficient bimetallic catalysts CO 2 reduction. AI-based analyses, particularly advanced NNs, provided significant insights into mechanisms dynamics catalytic reactions. will be shown plays crucial role by significantly accelerating discovery enhancing process optimization, resulting enhanced efficiency selectivity. mini-review highlights challenges data quality, model interpretability, scalability, ethical, environmental concerns AI-driven research. importance continued methodological advancements responsible implementation

Язык: Английский

Процитировано

9
Genetic Counseling and Genetic Testing for Familial Hypercholesterolemia DOI Open Access
Hayato Tada, Masa‐aki Kawashiri, Atsushi Nohara

и другие.

Genes, Год журнала: 2024, Номер 15(3), С. 297 - 297

Опубликована: Фев. 26, 2024

Familial hypercholesterolemia (FH) is one of the most common autosomal codominant Mendelian diseases. The major complications FH include tendon and cutaneous xanthomas coronary artery disease (CAD) associated with a substantial elevation serum low-density lipoprotein levels (LDL). Genetic counseling genetic testing for useful its diagnosis, risk stratification, motivation further LDL-lowering treatments. In this study, we summarize epidemiology based on numerous studies, including pathogenic variants, genotype-phenotype correlation, prognostic factors, screening, usefulness testing. Due to variety treatments available disease, should be implemented in daily clinical practice.

Язык: Английский

Процитировано

7
LDLR variants and structure-function predictions of protein models related to familial hypercholesterolemia in Vietnam DOI
Ngoc‐Thanh Kim,

Doan‐Loi Do,

Mai‐Ngoc Thi Nguyen

и другие.

Human Gene, Год журнала: 2025, Номер unknown, С. 201381 - 201381

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
Genetic variants and structure-function predictions of protein models related to familial hypercholesterolemia in Vietnam DOI Creative Commons
Ngoc‐Thanh Kim,

Doan‐Loi Do,

Mai‐Ngoc Thi Nguyen

и другие.

Research Square (Research Square), Год журнала: 2024, Номер unknown

Опубликована: Март 5, 2024

Abstract Genetic studies have contributed to our understanding of the complex mechanisms involved in cholesterol homeostasis familial hypercholesterolemia (FH). Recently, computational modeling silico provided a useful tool for structure-function predictions mutant protein. However, there is still much unravel FH, and further investigations are needed. In this study, we aimed characterize these mutations Vietnamese population provide protein modeling. total, 28 FH variants were identified—21LDLR, 6APOB, 1PCSK9variants—with detection rate 43.6% patient cohort. Three novelLDLRmutations (Gly396_Glu714del, Pro476Arg, Asp843Glufs*86) one novelAPOBmutation (His3583Leu) identified.LDLRmutations, such as Asp227Glu His583Tyr, affected stability interactions consequently impacted metabolism. Similarly, other less conserved regions, like Gln660Ter Cys318Arg, disrupted interactions.APOBmutations, including Arg1386Trp Phe2469Cys, modified interactions, potentially affecting APOB–LDLR binding. These findings valuable insights into genetic diversity dynamic nature furthering molecular basis aiding development potential therapeutic interventions.

Язык: Английский

Процитировано

0
Exploring LDLR-APOB Interactions in Familial Hypercholesterolemia in the Vietnamese Population: A Protein-Protein Docking Approach DOI Creative Commons
Ngoc‐Thanh Kim,

Doan‐Loi Do,

Mai‐Ngoc Thi Nguyen

и другие.

Bioinformatics and Biology Insights, Год журнала: 2024, Номер 18

Опубликована: Янв. 1, 2024

Atherosclerotic cardiovascular diseases (CVDs) are closely linked to factors such as familial hypercholesterolemia (FH), often caused by mutations in low-density lipoprotein receptor ( LDLR) and apolipoprotein B APOB). Through a comprehensive bioinformatic analysis, we identified novel LDLR APOB their disease (CVD) implications, focusing on unique variants the Vietnamese population. We used homology modeling predict protein structures; addition, through protein-protein molecular docking, assessed how these affect binding affinities. 10 residues exclusive wild-type precursor isoforms, including ASP-47, GLY-48, GLU-51. Analyses of 154 complexes revealed 5 isoforms with low affinities notable hydrogen-bonding interactions—APOB (Arg3527Trp)-LDLR (Cys318Arg), (His3583Leu)-LDLR (Cys104Tyr), wild-LDLR (Glu228Lys), (Phe2469Cys)-LDLR (Glu288Lys), (Ser130Ter). These results suggest strong potentially detrimental interactions among proteins. Furthermore, they highlight mechanisms underlying CVD development, reveal potential therapeutic targets, enhance our understanding genetic variations, could guide FH research.

Язык: Английский

Процитировано

0