Antiproliferative evaluation and supramolecular properties of a Pd(II) complex harvested from benzil bis(pyridyl hydrazone) ligand: Combined experimental and theoretical studies. Adhikari, S., Sheikh, A. H., Baildya, N., Mahmoudi, G., Choudhury, N. A., Okpareke, O., Sen, T., Verma, A. K., Singh, R. K., Pathak, S., & Kaminsky, W. Inorganic Chemistry Communications, 152(February):110646, 2023. Publisher: Elsevier B.V.![Antiproliferative evaluation and supramolecular properties of a Pd(II) complex harvested from benzil bis(pyridyl hydrazone) ligand: Combined experimental and theoretical studies [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex A new Pd(II) coordination compound, [Pd(L)(PPh3)2] (1) [H2L = benzil bis(pyridyl hydrazone] has been synthesized and characterized by using spectroscopic (FT-IR, electronic, and NMR) and single crystal X-ray diffraction confirming that Pd(II) coordination compound (1) preferred a distorted square planar geometry. In the crystal structure of 1, supramolecular networks have been developed by involving the association of C–H···π, intermolecular C–H···N interactions, C–O···H, and π···π interactions. Theoretical investigations have been carried out to understand the interactions within 1. Molecular docking study confirms strong hydrophilic interactions of 1 with the polar moiety of the amino acids in 1. The antitumor activities of Pd(II) complex (1) and the ligand were studied in vitro and in vivo using Dalton's lymphoma malignant cancer model. Pd(II) complex (1) induced concentration-dependent cytotoxicity and apoptotic cell death leading to a decrease in cell viability, body weight, and tumor volume in mice. Mice treated with 1 showed an increase in life span with a mean survival period of 25 days. Furthermore, an in silico molecular interaction study supports the wet lab results.
@article{adhikari_antiproliferative_2023,
title = {Antiproliferative evaluation and supramolecular properties of a {Pd}({II}) complex harvested from benzil bis(pyridyl hydrazone) ligand: {Combined} experimental and theoretical studies},
volume = {152},
issn = {13877003},
url = {https://doi.org/10.1016/j.inoche.2023.110646},
doi = {10.1016/j.inoche.2023.110646},
abstract = {A new Pd(II) coordination compound, [Pd(L)(PPh3)2] (1) [H2L = benzil bis(pyridyl hydrazone] has been synthesized and characterized by using spectroscopic (FT-IR, electronic, and NMR) and single crystal X-ray diffraction confirming that Pd(II) coordination compound (1) preferred a distorted square planar geometry. In the crystal structure of 1, supramolecular networks have been developed by involving the association of C–H···π, intermolecular C–H···N interactions, C–O···H, and π···π interactions. Theoretical investigations have been carried out to understand the interactions within 1. Molecular docking study confirms strong hydrophilic interactions of 1 with the polar moiety of the amino acids in 1. The antitumor activities of Pd(II) complex (1) and the ligand were studied in vitro and in vivo using Dalton's lymphoma malignant cancer model. Pd(II) complex (1) induced concentration-dependent cytotoxicity and apoptotic cell death leading to a decrease in cell viability, body weight, and tumor volume in mice. Mice treated with 1 showed an increase in life span with a mean survival period of 25 days. Furthermore, an in silico molecular interaction study supports the wet lab results.},
number = {February},
journal = {Inorganic Chemistry Communications},
author = {Adhikari, Suman and Sheikh, Afzal Hussain and Baildya, Nabajyoti and Mahmoudi, Ghodrat and Choudhury, Nurul Alam and Okpareke, Obinna and Sen, Tanushree and Verma, Akalesh Kumar and Singh, Rohit Kumar and Pathak, Surajit and Kaminsky, Werner},
year = {2023},
note = {Publisher: Elsevier B.V.},
keywords = {Crystal structure, Cytotoxicity, Docking study, Hirshfeld Surface analysis, Pd(II) complex, Supramolecular properties},
pages = {110646},
}
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K.","Pathak, S.","Kaminsky, W."],"bibdata":{"bibtype":"article","type":"article","title":"Antiproliferative evaluation and supramolecular properties of a Pd(II) complex harvested from benzil bis(pyridyl hydrazone) ligand: Combined experimental and theoretical studies","volume":"152","issn":"13877003","url":"https://doi.org/10.1016/j.inoche.2023.110646","doi":"10.1016/j.inoche.2023.110646","abstract":"A new Pd(II) coordination compound, [Pd(L)(PPh3)2] (1) [H2L = benzil bis(pyridyl hydrazone] has been synthesized and characterized by using spectroscopic (FT-IR, electronic, and NMR) and single crystal X-ray diffraction confirming that Pd(II) coordination compound (1) preferred a distorted square planar geometry. In the crystal structure of 1, supramolecular networks have been developed by involving the association of C–H···π, intermolecular C–H···N interactions, C–O···H, and π···π interactions. Theoretical investigations have been carried out to understand the interactions within 1. Molecular docking study confirms strong hydrophilic interactions of 1 with the polar moiety of the amino acids in 1. The antitumor activities of Pd(II) complex (1) and the ligand were studied in vitro and in vivo using Dalton's lymphoma malignant cancer model. Pd(II) complex (1) induced concentration-dependent cytotoxicity and apoptotic cell death leading to a decrease in cell viability, body weight, and tumor volume in mice. Mice treated with 1 showed an increase in life span with a mean survival period of 25 days. 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In the crystal structure of 1, supramolecular networks have been developed by involving the association of C–H···π, intermolecular C–H···N interactions, C–O···H, and π···π interactions. Theoretical investigations have been carried out to understand the interactions within 1. Molecular docking study confirms strong hydrophilic interactions of 1 with the polar moiety of the amino acids in 1. The antitumor activities of Pd(II) complex (1) and the ligand were studied in vitro and in vivo using Dalton's lymphoma malignant cancer model. Pd(II) complex (1) induced concentration-dependent cytotoxicity and apoptotic cell death leading to a decrease in cell viability, body weight, and tumor volume in mice. Mice treated with 1 showed an increase in life span with a mean survival period of 25 days. 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