ABORDAGEM DIDÁTICA PARA O DESENVOLVIMENTO DE MOLÉCULAS BIOATIVAS: REGRA DOS CINCO DE LIPINSKI E PREPARAÇÃO DE HETEROCICLO 1,3,4-OXADIAZOL EM FORNO DE MICRO-ONDAS DOMÉSTICO

• Autor(a) principal: Santos,Victória Laysna dos Anjos
• Data de Publicação: 2018
• Outros Autores: Gonsalves,Arlan de Assis, Araújo,Cleônia Roberta Melo
• Tipo de documento: Artigo
• Idioma: por
• Título da fonte: Química Nova (Online)
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000100110
• topic: Rule of five (RO5); Lipinski; new chemical entities (NEQ); domestic microwave oven; ChemSpider®

In Brazil, the development of new chemical entities (NEQ) is still limited to small advances in the academic and public research sectors, the authors understand that this is a sector of the pharmaceutical industry that needs encouragement. Accepting that education transforms society, educate students in the development of bioactive molecules, it’s a way to stimulate the national pharmaceutical industry to invest in the sector. Thus, this work brings a didactic sequence, applicable in undergraduate courses, which exemplifies some stages of development of the NEQ through its rational planning. The synthesis of a 1,3,4-oxadiazole heterocycle was planned and its potentiality assessed through the Lipinski’s Rule of Five (RO5), using the ChemSpider® database. Once in accordance with RO5, the heterocycle was prepared using a simple and accessible methodology, using microwaves for domestic use as heating source. The 2-phenyl-5-(pyridin-4-yl)-1,3,4-oxadiazole was synthesized by oxidative cyclization of acylhydrazone and an overall yield of 90%. So was possible to demonstrate in a practical way some steps for the development of a substance with potential biological activity and thus to attract greater interest of undergraduate students by this follow-up of the Medicinal Chemistry.