The temperature and light-dependent molecular dynamic investigation on foxtail millet’s blast effector APikL2A/sHMA25

Abstract Magnaporthe oryzae is the causal agent of rice blast. Understanding the abiotic stress influence on the resistance possess is benefit to regulate the disease. Here, effects of thermal and light (oscillating electric field) on the complex of Magnaporthe oryzae effector APikL2A/sHMA25 from foxtail millet had been investigated by molecular dynamic (MD) simulations using Gromacs package. The structure of APikL2A/sHMA25 were relatively stable within a temperature range from 290 K (16.85°C) to 320 K (46.85°C), and a slightly higher surface area was observed at higher temperature. In contrary, we found that the oscillating electric fields had a notable influence on the structure of APikL2A/sHMA25, and destructive effects could be detected at a field intensity about 0.5 V/nm. Alpha-helix structures were the least stable under oscillating electric fields, because of the existence of their dipole moment, while beta-sheet was quite be stable in the oscillating electric fields.