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Research Publications (Applied Sciences)

Permanent URI for this collectionhttp://ir-dev.dut.ac.za/handle/10321/213

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    Larvicidal Activities of 2-Aryl-2,3-Dihydroquinazolin-4-ones against Malaria Vector Anopheles arabiensis, in Silico ADMET prediction and molecular target investigation
    (MDPI, 2020-03-02) Venugopala, Katharigatta Narayanaswamy; Ramachandra, Pushpalatha; Tratrat, Christophe; Gleiser, Raquel M.; Bhandary, Subhrajyoti; Chopra, Deepak; Morsy, Mohamed A.; Aldhubiab, Bandar E.; Attimarad, Mahesh; Nair, Anroop B.; Sreeharsha, Nagaraja; Venugopala, Rashmi; Deb, Pran Kishore; Chandrashekharappa, Sandeep; Khalil, Hany Ezzat; Alwassil, Osama I.; Abed, Sara Nidal; Bataineh, Yazan A.; Palenge, Ramachandra; Haroun, Michelyne; Pottathil, Shinu; Girish, Meravanige B.; Akrawi, Sabah H.; Mohanlall, Viresh
    Malaria, affecting all continents, remains one of the life-threatening diseases introduced by parasites that are transmitted to humans through the bites of infected Anopheles mosquitoes. Although insecticides are currently used to reduce malaria transmission, their safety concern for living systems, as well as the environment, is a growing problem. Therefore, the discovery of novel, less toxic, and environmentally safe molecules to effectively combat the control of these vectors is in high demand. In order to identify new potential larvicidal agents, a series of 2-aryl-1,2-dihydroquinazolin-4-one derivatives were synthesized and evaluated for their larvicidal activity against Anopheles arabiensis. The in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of the compounds were also investigated and most of the derivatives possessed a favorable ADMET profile. Computational modeling studies of the title compounds demonstrated a favorable binding interaction against the acetylcholinesterase enzyme molecular target. Thus, 2-aryl-1,2-dihydroquinazolin-4-ones were identified as a novel class of Anopheles arabiensis insecticides which can be used as lead molecules for the further development of more potent and safer larvicidal agents for treating malaria.