Oxindole derivatives with antiglaucomatous activity

Zaryanova, E.V.; Lozinskaya, N.A.; Ivanov, N.N.; Shulga, D.A.; Beznos, O.V.; Chesnokova, N.B.; Zefirov, N.S.

Авторы: Zaryanova E.V., Lozinskaya N.A., Ivanov N.N., Shulga D.A., Beznos O.V., Chesnokova N.B., Zefirov N.S.
Сборник: 3rd Russian Conference on Medicinal Chemistry. Abstract book
Тезисы
Год издания: 2017
Место издания: Kazan
Первая страница: 280
Последняя страница: 280
Аннотация: Glaucoma (a group of eye diseases characterized by a constant or periodic increase in intraocular pressure (IOP)) is one of the most dangerous and common causes of blindness in people aged 50 years and above [1]. Existing drugs used to reduce IOP require multiple (3 times) daily use, that is, the duration and absolute magnitude of the biological effect do not satisfy the needs of patients. Therefore, the creation of new generation drugs that have strong and prolonged action is an urgent task. To create drugs with a given activity, molecular modeling methods were used [2], the search for the most active molecules was carried out using docking based on the oxindole core. A number of patterns of structure-activity were revealed, showing a promising direction for the synthesis of substances with high affinity for the MT3 subtype of melatonin receptors (quinone reductase 2, NQO2) [3]. NQO2 is a promising target therapy of increased IOP-associated diseases; antioxidant and neuroprotective properties of melatonin are also associated with exposure to this target. A general approach to the synthesis of oxindole derivatives was developed on the basis of simple reactions (Knoevenagel condensation, heterogeneous catalytic reduction, acylation, protecting groups usage) and available reagents (isatin, malonic acid derivatives, common acylating agents – anhydrides, acid chlorides) [3]. The results of the work were the calculation of the binding energy of ligands with NQO2, the determination of the compounds-hits; the development of a suitable synthesis method and, in fact, the synthesis of compounds with a given activity; determination of the biological activity of the resulting compounds in vivo. References [1] E.V. Ardashirova et al., Int. J Chem. Biomed. Science, 2015, 1 (5), 109-118. [2] O. Trott, A.J. Olson, J Comput. Chem, 2010, 31, 455-461. [3] M.S. Volkova et al. Bioorg. Med. Chem. Letters, 2012, 24 (22), 7578-7581.
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