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Author: search.filters.author.Gleiser, Raquel M.Subject: search.filters.subject.Crystallography

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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.
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    Synthesis, polymorphism, and insecticidal activity of Methyl 4-(4-chlorophenyl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido[2,1-b]quinazoline-3-Carboxylate against Anopheles arabiensis mosquito.
    (Wiley Online Library, 2016-07) Venugopala, Katharigatta Narayanaswamy; Nayak, Susanta K.; Gleiser, Raquel M.; Sanchez-Borzone, M. E.; Garcia, D. A.; Odhav, Bharti
    Mosquitoes are the major vectors of pathogens and parasites including those causing malaria, the most deadly vector-borne disease. The negative environmental effects of most synthetic compounds combined with widespread development of insecticide resistance encourage an interest in finding and developing alternative products against mosquitoes. In this study, pyrimido[2,1-b]quinazoline derivative DHPM3 has been synthesized by three-step chemical reaction and screened for larvicide, adulticide, and repellent properties against Anopheles arabiensis, one of the dominant vectors of malaria in Africa. The title compound emerged as potential larvicide agent for further research and development, because it exerted 100% mortality, while adulticide activity was considered moderate.