Computationally and Target-Guided Discovery of Trifluoromethyl-Pyrazole Derivatives Targeting the a–c Subunit Interface of V-ATPase in Phytophthora capsici

Key Points

• The aim is to discover new compounds that inhibit the V-ATPase enzyme in Phytophthora capsici.
• Computational screening of trifluoromethyl-pyrazole derivatives
• Targeting the a–c subunit interface of V-ATPase
• In vitro testing of compound efficacy against Phytophthora capsici.
• Identified several promising trifluoromethyl-pyrazole derivatives with inhibitory effects on V-ATPase.
• Demonstrated effective binding at the a–c subunit interface with potential applications.
• Effectiveness varies among derivatives, indicating pathways for optimization.