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<p>New derivatives of α-cyanothioacetamide synthesized at the KhimEx Research Laboratory are promising in terms of synthesizing new drugs with various pharmacological effects. The analgesic properties of the new cyanothioacetamide derivatives were studied in the hot-plate test. Virtual bioscreening and predictive analysis of eight new heterocyclic structures of α-cyanothioacetamide derivatives were conducted. The most probable biological targets <i>in silico</i> for the new α-cyanothioacetamide derivatives with laboratory codes <b>d02-123</b>, <b>d02-122</b>, <b>d02-141</b>, <b>d02-149</b>, <b>d02-128</b>, <b>d02-133</b>, <b>d02-139</b>, and <b>d02-168</b> may be cyclooxygenase-2, cannabinoid CB<sub>1</sub> and CB<sub>2</sub>, adenosine A<sub>2a</sub> and A<sub>1</sub>, and prostaglandin EP<sub>1</sub> receptors.</p>

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Virtual Bioscreening and Analgesic Activity of New α-Cyanothioacetamide Derivatives

  • 期刊论文

  • 发表日期：

    2025年5月1日

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  • E. Yu. Bibik,
  • I. S. Oleynik,
  • S. G. Krivokolisko,
  • O. V. Reshetko

摘要

New derivatives of α-cyanothioacetamide synthesized at the KhimEx Research Laboratory are promising in terms of synthesizing new drugs with various pharmacological effects. The analgesic properties of the new cyanothioacetamide derivatives were studied in the hot-plate test. Virtual bioscreening and predictive analysis of eight new heterocyclic structures of α-cyanothioacetamide derivatives were conducted. The most probable biological targets in silico for the new α-cyanothioacetamide derivatives with laboratory codes d02-123, d02-122, d02-141, d02-149, d02-128, d02-133, d02-139, and d02-168 may be cyclooxygenase-2, cannabinoid CB1 and CB2, adenosine A2a and A1, and prostaglandin EP1 receptors.