Abstract
An in silico screening method for novel dipeptides from a dipeptide training set was performed. A 3D pharmacophore model with three H-bond acceptor projections (Acc2), and one H-bond donor projection (Don2) was obtained. To validate the pharmacophore model, a test set containing 10 reported dipeptides was screened and all were found to be bioactive. Eleven novel dipeptides (IF, GD, DA, TE, TA, ES, SS, ST, SD, QD, QE) from the silkworm pupae protein peptide database were predicted to have ACE inhibitory bioactivity. The interaction mechanisms of the dipeptides with the ACE active pocket were elucidated by molecule docking, and besides involving interaction bonds, the interaction force equipoise of the peptides was also an important factor in their bioactivity.
Keywords: Angiotensin-I-converting enzyme, in silico, molecular mechanism, screening, silkworm pupae.
Current Pharmaceutical Biotechnology
Title:Molecular Mechanisms of Several Novel Dipeptides with Angiotensin-Iconverting Enzyme Inhibitory Activity from In-silico Screening of Silkworm Pupae Protein
Volume: 15 Issue: 8
Author(s): Wei Wang, Yu Zhang, Nan Wang and Zuoyi Zhu
Affiliation:
Keywords: Angiotensin-I-converting enzyme, in silico, molecular mechanism, screening, silkworm pupae.
Abstract: An in silico screening method for novel dipeptides from a dipeptide training set was performed. A 3D pharmacophore model with three H-bond acceptor projections (Acc2), and one H-bond donor projection (Don2) was obtained. To validate the pharmacophore model, a test set containing 10 reported dipeptides was screened and all were found to be bioactive. Eleven novel dipeptides (IF, GD, DA, TE, TA, ES, SS, ST, SD, QD, QE) from the silkworm pupae protein peptide database were predicted to have ACE inhibitory bioactivity. The interaction mechanisms of the dipeptides with the ACE active pocket were elucidated by molecule docking, and besides involving interaction bonds, the interaction force equipoise of the peptides was also an important factor in their bioactivity.
Export Options
About this article
Cite this article as:
Wang Wei, Zhang Yu, Wang Nan and Zhu Zuoyi, Molecular Mechanisms of Several Novel Dipeptides with Angiotensin-Iconverting Enzyme Inhibitory Activity from In-silico Screening of Silkworm Pupae Protein, Current Pharmaceutical Biotechnology 2014; 15 (8) . https://dx.doi.org/10.2174/138920101508140930153336
DOI https://dx.doi.org/10.2174/138920101508140930153336 |
Print ISSN 1389-2010 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4316 |
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Platelet Function and Antiplatelet Therapy in Cardiovascular Disease: Implications of Genetic Polymorphisms
Current Vascular Pharmacology Mediterranean Diet in Predementia and Dementia Syndromes
Current Alzheimer Research Endothelins and Nitric Oxide: Vasoactive Modulators of Carotid Body Chemoreception
Current Neurovascular Research Reproductive Health Indicators and Factors Affecting Menstrual Cycle Pattern among Sudanese Women with Thyroid Dysfunction
Current Women`s Health Reviews Anthropometric Correlation with Metabolic Syndrome in Sarajevo Population
Endocrine, Metabolic & Immune Disorders - Drug Targets Usefulness of Magnetic Resonance Imaging in Cardiac and Enovascular Intervention
Current Medical Imaging Endothelial Dysfunction in Diabetes: The Role of Protein Kinase C
Vascular Disease Prevention (Discontinued) Involvement of Dietary Bioactive Proteins and Peptides in Autism Spectrum Disorders
Current Protein & Peptide Science Long-term Outcomes of Cerebral Venous Sinus Stenosis Corrected by Stenting
Current Neurovascular Research High Blood Pressure Combined with Sedentary Behavior in Young People: A Systematic Review
Current Hypertension Reviews Prevalence of Analgesic Use and Pain in People with and without Dementia or Cognitive Impairment in Aged Care Facilities: A Systematic Review and Meta-Analysis
Current Clinical Pharmacology Hypertensive Versus HIV-infected Patients: Who Has the Greatest Target Organ Damage? Comparison of Carotid Plaque Prevalence, Intima Media Thickness and Renal Resistive Index in the Two Groups of Patients
Current Hypertension Reviews Interactive Effect of Combined Exposure to Active and Passive Smoking on Cardiovascular System
Recent Patents on Cardiovascular Drug Discovery SPMMTE and HPLC Methods for the Analyses of Cardiovascular Drugs in Human Plasma Using New Generation C28 Column
Current Pharmaceutical Analysis Ibubrofen in the Treatment of Patent Ductus Arteriosus in Preterm Infants: What We Know, What We Still Do Not Know
Current Pharmaceutical Design Microbiome Regulation of Autoimmune, Gut and Liver Associated Diseases
Inflammation & Allergy - Drug Targets (Discontinued) Diagnosis and Therapy of Autoimmune Hepatitis
Mini-Reviews in Medicinal Chemistry Mind-Body Therapies and Osteoarthritis of the Knee
Current Rheumatology Reviews Patent Selections
Recent Patents on Cardiovascular Drug Discovery Comparison of Valvulopathy Risk with Lorcaserin and Phenterminetopiramate for Weight Loss
Current Drug Therapy