Amyloidosis: Structure-Based Therapeutic Development and Prevention
A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: closed (30 September 2023) | Viewed by 357
Special Issue Editor
Interests: drug design; molecular docking; molecular dynamics; Alzheimer’s disease; immunoinformatics
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Amyloidosis is a hallmark of a number of diseases that affect different body tissues and organs including the brain, nervous system, heart, kidneys, blood, pancreas, digestive system, skin, etc. It presents aggregation and deposition of an abnormal protein, denoted as amyloid, thus causing significant issues in the affected areas. Currently, more than 25 different types of proteins have been identified that induce amyloidosis. The most common type of amyloidosis is Alzheimer’s disease (AD), the most widely spread type of dementia worldwide, which presents in 60–80% of cases of dementia and affects 10% of the elderly people above 65 years of age. In 2010, around 46.8 billion people were identified to have AD, and this number is expected to increase to 74.7 billion by 2030 and to 131.5 billion by 2050 if no effective therapies are found.
Structure-based drug design is one of the most state-of-the-art approaches in computer-aided drug design (CADD). Molecular docking and virtual screening are widely applied methods for the discovery of new molecules and their structure optimization within the binding site of the target macromolecule, as they reveal the intimate mechanism of interaction between the two partners. Molecular dynamics simulation mimics the motion of the biological systems and is currently the only way to provide deeper insight into the dynamic interaction between the partners at an atomic level.
This Special Issue aims to focus on the application of a structure-based drug-design approach in the field of amyloidosis. We welcome articles applying these methods for the identification and development of promising anti-amyloid drug candidates as well as for unveiling any intimate mechanism of the dynamic interaction involving amyloid peptide.
Dr. Mariyana Atanasova
Guest Editor
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Keywords
- amyloidosis
- amyloid beta
- molecular docking
- molecular dynamics
- Alzheimer’s disease
- tau protein
- fibril formation
- Parkinson’s disease
- α-synuclein
