Computational screening of potential inhibitors targeting MurF of Brugia malayi Wolbachia through multi-scale molecular docking, molecular dynamics and MM-GBSA analysis
Saritha Poopandi, Sundaraj Rajamanikandan, Raji Rajmichael, Thangaraj Sindhu, Prabhu Dhamodharan, Jayashree Biswal, Malaisamy Veerapandiyan, Chitra Jeyaraj Pandian, Jeyaraman Jeyakanthan
Topics & Concepts
Brugia malayiBiologyHomology modelingDrug discoveryOnchocerca volvulusADMEMolecular mechanicsComputational biologyVirtual screeningIvermectinDocking (animal)Lymphatic filariasisFilariasisBiochemistryDrugPharmacologyMolecular dynamicsChemistryEnzymeImmunologyComputational chemistryOnchocerciasisMedicineZoologyNursingHelminthsInsect symbiosis and bacterial influencesTrypanosoma species research and implicationsParasitic Diseases Research and Treatment