VnD

VnD integrates disease-associated genes, single nucleotide polymorphisms (SNPs), protein mutations, and pharmaceuticals to analyze how genetic variations affect protein structure and drug interactions.

Key Features:

• Comprehensive Data Integration: Consolidates datasets to catalog 137,195 disease-related gene records encompassing 13,940 distinct genes and 16,586 genetic variation records covering 1,790 unique variations.
• Structure Modeling and Docking Simulations: Generates structural models and performs docking simulations for wild-type and mutant forms of drug-related proteins, including conformational analysis of 590 wild-type and 4,437 mutant proteins.
• Non-synonymous SNP Analysis: Examines structural and functional impacts of non-synonymous SNPs on protein conformation and activity.
• Drug Interaction Analysis: Evaluates SNP distribution in proximal protein pockets, thermochemical stability, drug–protein interactions, and physico-chemical characteristics relevant to binding.

Scientific Applications:

• Variant–disease–drug mapping: Enables analysis of the trilateral relationship among genomic variations, diseases, and pharmacological responses.
• Personalized medicine and drug development: Provides insights into how genetic variations influence drug efficacy and safety through changes in protein structure and function to support targeted therapeutic development.

Methodology:

Aggregation of diverse data resources; structural modeling and docking simulations of wild-type and mutant proteins; and examination of structural and biochemical properties relevant to drug interactions.