Exploring Protein Patterns, Cavity Interactions, and Therapeutic Insights in Cancer
Tejera Nevado, P.; Otero Carrasco, B.; Rodriguez Gonzalez, A.
Show abstract
Protein sequence alignments are essential for identifying proteins shared structural and functional features. Detecting short amino acid sequences, termed patterns, across lung cancer and other related datasets facilitates the identification of relevant features. This study builds on previous findings by exploring proteins that share common patterns already identified. Using sequence matching at 5% and 10% occurrence thresholds, we identified 2,368 and 47 patterns, respectively. To reduce complexity and refine the dataset, shorter patterns from the 10% occurrence streamlined the analysis by isolating highly relevant patterns while reducing redundancy among proteins sharing sequence segments. Subsequent analyses integrated structural predictions for protein folding comparison, enabling the detection of patterns in different proteins and the identification of potential key residues. During cavity detection prediction, some amino acids were inspected in detail to assess their impact on protein function and their relevance in drug-target interactions. These insights were considered during docking studies, focusing on proteins used in treatments with pre-described ligands. By connecting raw sequence data to folding structures and functional features, we identified critical protein cavities that underscore the role of mutations in altering protein behavior and influencing drug-target interactions. These findings highlight protein activitys structural foundations and their importance in understanding cancer biology. By uncovering conserved sequence patterns and their structural implications, this study provides insights into potential biomarkers and therapeutic targets, that could aid in developing more effective cancer treatments.
Matching journals
The top 8 journals account for 50% of the predicted probability mass.
Similar papers in this journal
- Identification of Natural Antiviral Drug Candidates Against Tilapia Lake Virus: Computational Drug Design Approaches 95%
- Deep learning based predictive modeling to screen natural compounds against TNF-alpha for the potential management of Rheumatoid Arthritis: Virtual screening to comprehensive in silico investigation 95%
- Antivirals for Monkeypox Virus: Proposing an Effective Machine/Deep Learning Framework 95%
Similar papers in this journal
- Molecular and functional characterization of buffalo nasal epithelial odorant binding proteins and their structural insights by in-silico and biochemical approach 96%
- Structural analysis and ensemble docking revealed the binding modes of selected progesterone receptor modulators 96%
- Ab initio modelling of an essential mammalian protein: Transcription Termination Factor 1 (TTF1) 95%
Similar papers in this journal
- Machine learning prediction of antiviral-HPV protein interactions for anti-HPV pharmacotherapy 96%
- Pan-cancer in silico analysis of somatic mutations in G-protein coupled receptors: The effect of evolutionary conservation and natural variance 95%
- Classification models for Invasive Ductal Carcinoma Progression, based on gene expression data-trained supervised machine learning 95%
Similar papers in this journal
- Analysis of Mutations in Precision Oncology using The Automated, Accurate, and User-Friendly Web Tool PredictONCO 95%
- Computationally Grafting an IgE Epitope onto a Scaffold: Implications for a Pan Anti-Allergy Vaccine Design 94%
- Co-evolutionary Landscape at the Interface and Non-Interface Regions of Protein-Protein Interaction Complexes 94%
Similar papers in this journal
- In silico investigation of the new UK (B.1.1.7) and South African (501Y.V2) SARS-CoV-2 variants with a focus at the ACE2-Spike RBD interface 95%
- Multiscale Analysis And Validation Of Effective Drug Combinations Targeting Driver Kras Mutations In Non-Small Cell Lung Cancer 94%
- Elucidation of Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein 1 Using a Chemical "Toolkit" 94%
"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.