Abstract
Organic and Medicinal chemistry international Journal is an open access journal that is committed to publish the papers on various topics of chemistry, especially synthetic organic chemistry, and pharmacology and various other biological specialties
Highlights
The heterocyclic compounds with branched conjugated systems including oxazole, thiazole or pirazole moieties have shown themselves as powerful scaffold in drug design, especially, highly active anticancer agents [1]
1,3-oxazole derivatives were studied as a potent inhibitor of inosine monophosphate dehydrogenase [2], as a N1-substituted imdazole-based peptide [3], as novel antitubulin agents [4]
1,3-oxazole could be considered as perspective moiety in the design and further synthesis of novel biologically active agents that exert anticancer activity [1,6]
Summary
The heterocyclic compounds with branched conjugated systems including oxazole, thiazole or pirazole moieties have shown themselves as powerful scaffold in drug design, especially, highly active anticancer agents [1]. The 1,3-oxazole skeleton could regard as applicable biologically active fragment. This molecular moiety can generate the enough “rigid” structure with the many biopolymers, what is considered as an important condition for increasing of selectivity to potential targets. The anticancer properties of 1,3-oxazole derivatives were studied pointwise [5]. It is to be considered that biological activity or generation of the stable “rigid” structure with the receptors depends on the chemical constitution of target, including its possible electron structure. 1,3-oxazole could be considered as perspective moiety in the design and further synthesis of novel biologically active agents that exert anticancer activity [1,6]. This paper presents the results of the computational study, firstly, quantum-chemical modeling of the new promising biologically active agent ligands, as well as comparing these results with the pharmacological testing of synthesized compounds with anti-cancer activity
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