0% Complete
صفحه اصلی
/
4th international edition and 13th Iranian Conference on Bioinformatics
High throughput screening of Plant-Derived Antimicrobial Peptides: A Peptide-Protein Docking Study Against Pathogenic Bacterial
نویسندگان :
Parisa Imeni
1
Milad Darejeh
2
1- Master of Biotechnology, Univercity of Tehran, Tehran, Iran
2- Research and Development manager of ‘Zarattar novin pharmed Iranian’ Company, Tehran, Iran
کلمات کلیدی :
Antimicrobial peptides،plant-derived AMPs،protein-protein docking
چکیده :
Antimicrobial resistance poses a significant threat to global health, leading to high morbidity and mortality. The misuse of antibiotics has accelerated the emergence of multidrug-resistant bacterial strains, which have developed resistance through mechanisms such as protein alteration, enzymatic degradation, and changes in membrane permeability. This situation has created an urgent need for new, effective, and less toxic antimicrobial agents. Antimicrobial peptides (AMPs) have grabbed attention due to their broad-spectrum activity and fewer side effects. These peptides are a crucial component of plant innate immunity, protecting against microbial infections. AMPs exhibit structural and functional diversity, enhancing their antimicrobial activity, microbial cell selectivity, and immunomodulatory properties. This makes them promising candidates for developing new therapies (Mustafa and Mehmood, 2022). The study analyzed the binding interactions and binding patterns of selected 35 plant-drived AMPs which obtained from Literature review and PlantPepDB web server, with 3 multidrug-resistant bacterial strains: Mycobacterium tuberculosis, Helicobacter pylori and methicillin-resistant Staphylococcus. The binding interactions were validated by ClusPro (protein-protein docking) and HADDOCK 2.4 web servers, confirming the specific docking and results have analyzed with PDBsum Generate server (Yating and Huang,2021, Patil and Goswami, 2020, Görgüç and Gençdağ, 2020). Among 35 selected AMPs in this study, Cysteine-rich antifungal protein 2 (Bn-AFP2), Antibacterial napin and So-D6 (Defensin), exhibited the ten best scores and binding patterns for all 3 bacterial strains targets. So-D6 (Defensin) exhibited the strongest interactions with penicillin-binding protein 2a of methicillinresistant Staphylococcus aureus (with a docking score of -1042), with glucose-1-phosphate thymidylyltransferase of Mycobacterium tuberculosis H37Rv (with a docking score of -1211), and with oxygen-insensitive NADPH nitroreductase of Helicobacter pylori (with a docking score of -1234). The findings suggest that plant-derived AMPs could serve as natural alternatives to synthetic antibiotics, offering a promising solution to combat multidrug-resistant bacterial infections. Molecular dynamics simulations is needed to validate docking results and further studies are required to fully evaluate the efficacy of these peptides in vivo and to explore their mechanisms of action in more detail.
لیست مقالات
لیست مقالات بایگانی شده
Physical parametric study of bacterial biofilm disruption and removal by jet impingement: A CFD investigation
Fatemeh Ebrahimi Tarki - Mahboobeh Zarrabi - Mahkame Sharbatdar - Ahya Abdi Ali
Herbal Drug Candidate as DNA Gyrase Inhibitor in M. Tuberculosis (Causative Agent of Tuberculosis)
Ali Abolhasanzadeh Parizi
Exploring Vaginal Microbiome Diversity in Early Pregnancy: Implications for Healthy Pregnancy and Miscarriage
Nasrin Vatankhah Hagigi - Mohammad Hossein Norouzi-Beirami
Innovative Multi-Epitope Vaccine for Breast Cancer Management: Utilizing MAGE-A, MAM-A, and Gal-3 through an In Silico Reverse Vaccinology Approach
Faranak Aali - Abbas Doosti - Mostafa Shakhsi-Niaei
PPI network construction and Cytoscape analysis for metastatic gastric cancer to ovary
Ameneh Hassani - Ghasem Bagherpour - Ali Salari - Behrooz Johari - Abdolmajid Ghaempanah
Enzybiotic Activity in Marine Bacteria: Unveiling Cooperative and Competitive Dynamics for Antimicrobial Potential
Mohammad Reza Zabihi - Arad Ariaeenejad - Arman Hasannejad - Donya Afshar Jahanshahi - Shohreh Ariaeenejad - Kaveh Kavousi
Site-Directed Mutagenesis to Optimize Anti- TIM-3 Antibody Affinity through In-Silico Modeling
Zahra Sohrabi nasr - Mehri Khatami - Mohammad mahdi Heidari
Encoding the gRNA-DNA Pairs with Deep Transformers to Predict off-target Effects of CRISPR
Roghayyeh Alipanahi - Leila Safari - Alireza Khanteymoori
Integrating Biological Networks and Deep Learning for Microbe-Disease Prediction
Sobhan Ahmadian Moghadam - Zahra Ghorbanali - Fatemeh Zare-Mirakabad - Hesam Montazeri
Inhibition of angiogenesis based on the dynamic model of tumor growth using adaptive control method
Mehdi Ghasemi - Adel Akbarimajd - Solmaz Kia
بیشتر
ثمین همایش، سامانه مدیریت کنفرانس ها و جشنواره ها - نگارش 42.7.0