Proiect PN-III-P4-ID-PCE-2020-1028 :   Project timespan   Project team   Abstract   Budget   Results  
Contract:PCE 220/2021

Title: Tailoring Organochalcogen (Se, Te) Based Compounds with Potential as Antitumor Agents

Project timespan
2021 -- 2023

Abstract
The goal of this proposal is to obtain new organochalcogen compounds and metal complexes which can act as efficient antitumor and chemopriventive agents. Our objectives are: (i) to design organochalcogen derivatives of type R2E2, RR'E, R2E (E = Se,Te; R,R' = organic groups with donor atoms capable for intra- or intermolecular interactions) and their metal (Au,Ag,Zn,Sn,Bi) complexes, with potential as antioxidant, antitumor and chemopreventive agents, (ii) to study their solution behavior and solid state structure, (iii) to assay their antitumor activity against commercial tumor cell lines, (iv) to find an optimized strategy, based on experimental evidence and theoretical approach (DFT, QSAR) for highly active species with low toxicity, (v) to investigate the relation structure-antioxidant activity-antitumor properties for selected classes of compounds and (vi) to identify the interaction mechanism at cell level. The proposed organochalcogen compounds are flexible, potential tridentate systems, containing, besides Se or Te, other functionalities (pyrazole (pz), phenylthiazole (Phtz), amino, imino, COOH, OH) which share with the central chalcogen or the metal their donation ability and the own biological properties. The chosen ligands and their metal complexes are very attractive both for fundamental research and as promising active antitumor agents. The project combines research excellence and complementarity and is essentially based on inter- and multidisciplinary studies.

Budget
Budget chapter (expenses) 2021 (lei) 2022 (lei) 2023 (lei) Total
1 Salaries 180.000 210.000 210.000 600.000
2 Logistics 208.293 67.343 54.553 305.189
2.1 Capital expenses 120.000 20.000 0 140.000
2.2 Stocks expenses 88.293 47.343 54.553 165.189
3 Mobility 0 30.000 40.000 95.000
4 Overhead (23%) 61.707 66.089 70.047 197.843
5 Total 450.000 373.432 374.600 1.198.032

Results

Stage 1 in the implementation of the project; January 2021 – December 2021
The activities developed during 2021 were dedicated to the fulfilment of the objectives proposed in the approved application (contract 220/2021), as followings:
  • The synthesis and structural characterization of new organochalcogen compounds of type RR'Se (R = R' = Me2C(OH)CH2, 2-(Me2NCH2)C6H4, CH2phtz, CH2CH2pz; R ≠ R', R = 2-(Me2NCH2)C6H4, - R' = Me2C(OH)CH2, (CF3)2C(OH)CH2);
  • The synthesis and structural characterization of new compounds of type [2,6-(Me2NCH2)C6H3]2Se2, 2,6–[(2–Me2NCH2C6H4)SeCH2]2C5H3N and 2,6–[(2–Et2NCH2C6H4)SeCH2]2C5H3N;
  • The synthesis and structural characterization of new Au(I) and Ag(I) complexes with chalcogen donor atoms;
  • The synthesis and structural characterization of new group 12 complexes with chalcogen donor atoms;
  • The synthesis and structural characterization of new Sn(IV) complexes with Se→Sn interactions;
The obtained results were diseminated through 5 papers (2 already published and 3 under evaluation) and 10 oral or poster presentations to national and international conferences.

Articles
  1. Silver(I) complexes based on diorganoselenium(II) ligands with amino or hydroxo functionalities,
    M. David, R. Mitea, A. Silvestru, J. Mol. Struct., 2021, 1246, 131243.
    DOI: 10.1016/j.molstruc.2021.131243

  2. New mercury(II) complexes of polydentate ligands,
    C. Șalgău, A. Dobri, A. Silvestru Studia Univ. “Babes-Bolyai”, Chemia, LXVI, 2021, 3, 175-185.
    DOI: 10.24193/subbchem.2021.3.10

  3. New pyridine-based Se,N,Se ligands and their coordination behaviour towards gold(I) and silver(I),
    D. Dumitraș, A. Pop, A. Silvestru, Polyhedron, submitted.

  4. New hypercoordinate diorganotin(IV) compounds with ionic behaviour,
    E Denes, L. Marangoiu, M. Arca, V. Lippolis, A. Silvestru, J. Organomet. Chem., submitted.

  5. Synthesis, structure and coordination behaviour of macrocyclic ligands N-functionalized with CH2py pendant arms,
    A. M. Hodorogea, A. Silvestru, V. Lippolis, Polyhedron, submitted.

Conferences
  1. Organochalcogen compounds with relevance for biology. Structure and reactivity,
    A. Silvestru,
    at Simpozionul cu participare internațională – Noi tendințe și strategii în chimia materialelor avansate, cu relevanță în sisteme biologice, tehnică și protecția mediului, Timișoara, October 7-8, 2021 (oral presentation).

  2. Silver Complexes with Diorganochalcogen Ligands of Type (2-XC6H4CH2)2E (E = S, Se; X = Br, CH3),
    A. L. Corjuc, A. Silvestru,
    at Zilele Academice Clujene, Cluj-Napoca, October 21-22, 2021 (oral presentation).

  3. Diorganoselenides and their late d-metal complexes. Synthesis and structural characterization,
    M. David, R.-A. Popa, R. Mitea, A. Silvestru,
    at Zilele Academice Clujene, Cluj-Napoca, October 21-22, 2021 (oral presentation).

  4. Novel Silver(I) Complexes of Organoselenium Ligands Bearing Organic Groups with Pendant Arms and Pyrazole or Phenylthiazole Moieties,
    R. A. Popa, A. Silvestru,
    at Zilele Academice Clujene, Cluj-Napoca, October 21-22, 2021 (oral presentation).

  5. Organoselenium ligands and their silver(I) complexes. Synthesis and structural characterization,
    A.-M. Lazăr, Maria David, A. Pop,
    at 17th International Conference Students for Students, Cluj-Napoca, April 21-23, 2021 (oral presentation).

  6. Hypercoordinated organoselenium ligands and their reactivity towards group 12 metals,
    C. E. Șalgău, A. Silvestru,
    at 17th International Conference Students for Students, Cluj-Napoca, April 21-24, 2021 (oral presentation).

  7. Organoselenium pincer ligands and their reactivity towards late transition metals,
    D. Dumitraș, A. Silvestru,
    at 17th International Conference Students for Students, Cluj-Napoca, April 21-24, 2021 (oral presentation).

  8. Synthesis and structural characterization of group 11 metal complexes of [2-(Me2NCH2)C6H4]2Se,
    M. David, A. Silvestru,
    at 17th International Conference Students for Students, Cluj-Napoca, April 21-24, 2021 (oral presentation).

  9. Group 11 metal complexes based on diorganoselenium ligands,
    M. David, R.-A. Popa,
    at Sesiunea de Comunicări Științifice Studențești, ediția a XVI-a, May 28-29, 2021 (oral presentation).

  10. Structural aspects in mercury complexes with organoselenium ligands.,
    C. E. Șalgău, A. Silvestru,
    at Sesiunea de Comunicări Științifice Studențești, ediția a XVI-a, May 28-29, 2021 (oral presentation).

For information about unpublished results contact Prof. Dr. Anca Silvestru at anca.silvestru@ubbcluj.ro.