Antituberculosis Activity of Cu(II) and Zn(II) Alanine-Tyrosine Dithiocarbamate Complexes: Synthesis, Characterization, In Vitro, and In Silico Studies

Wardyanti, Wanda; Rasyid, Herlina; Soekamto, Nunuk Hariani; Natsir, Hasnah; Basir, Djabal Nur; Mubaraq, Wildan; Irfandi, Rizal; Mayasari, Erna; Kasim, Syahruddin; Maming, Maming; Syafirah, Andi Adillah Nur; Raya, Indah

doi:10.48309/chemm.2026.554818.2040

Antituberculosis Activity of Cu(II) and Zn(II) Alanine-Tyrosine Dithiocarbamate Complexes: Synthesis, Characterization, In Vitro, and In Silico Studies

Articles in Press

Document Type : Original Article

Authors

Wanda Wardyanti ¹

Herlina Rasyid ¹

Nunuk Hariani Soekamto ¹

Hasnah Natsir ¹

Djabal Nur Basir ¹

Wildan Mubaraq ¹

Rizal Irfandi ²

Erna Mayasari ¹

Syahruddin Kasim ¹

Maming Maming ¹

Andi Adillah Nur Syafirah ³

Indah Raya ¹

¹ Department of Chemistry, Faculty of Mathematics and Natural Science, Hasanuddin University, Makassar, Indonesia

² Department of Chemistry, Faculty of Mathematics and Natural Science, State University of Makassar, Makassar, Indonesia

³ Department of Internal Medicine, Faculty of Medicine, Hasanuddin University, Makassar, Indonesia

10.48309/chemm.2026.554818.2040

Abstract

Tuberculosis is one of the deadliest infectious diseases caused by Mycobacterium tuberculosis. The challenge of combating is further compounded by drug resistance, which complicates treatment. A novel class of antituberculosis candidates is introduced in this study, consisting of metal complexes bearing alanine-tyrosine-based dithiocarbamate ligands. Copper(II) and zinc(II) complexes of alanine-tyrosine dithiocarbamate were successfully synthesized, and the characterization results confirmed their formation by revealing distinctive features of dithiocarbamate compounds and their metal complexes. Qualitative assessment of in vitro antituberculosis activity revealed that both complexes inhibited the growth of M. tuberculosis H37Rv on Lowenstein-Jensen medium, with inhibition profiles qualitatively similar to those of isoniazid. In silico studies through molecular docking showed interactions between both complexes and the target protein, with docking scores of -86.6987 (Cu) and -89.0140 (Zn). Additionally, the fulfillment of Lipinski's rule and ADMET profile supported the pharmacological potential of the compounds. These findings suggest that Cu(II)AlaTyrDtc and Zn(II)AlaTyrDtc have potential as antituberculosis drug candidates.

Graphical Abstract

Keywords

Antituberculosis

Dithiocarbamate ligand

Metal complexes

Molecular docking

Pharmacokinetics

Subjects

Inorganic chemistry

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