Structural and molecular basis of angiotensin-converting enzyme by computational modeling: Insights into the mechanisms of different inhibitors

L Fang, M Geng, C Liu, J Wang, W Min, J Liu - PloS one, 2019 - journals.plos.org
Angiotensin-I converting enzyme (ACE) is a two-domain dipeptidylcarboxypeptidase
involved in regulating blood pressure via the kallikrein-kininand renin-angiotensin …

Cu (II)-TACN complexes selectively induce antitumor activity in HepG-2 cells via DNA damage and mitochondrial-ROS-mediated apoptosis

M Liu, XQ Song, YD Wu, J Qian, JY Xu - Dalton Transactions, 2020 - pubs.rsc.org
A new 1, 4, 7-triazacyclononane derivative, 4-benzyloxy-benzyl-1, 4, 7-triazacyclononane
(btacn), and three associated cyclen complexes, Cu (btacn) Cl2, Zn (btacn) Cl2 and [Cu …

Theoretical, antioxidant, antidiabetic and in silico molecular docking and pharmacokinetics studies of heteroleptic oxovanadium(IV) complexes of thiosemicarbazone …

S Ahmed, UM Rafi, R Senthil Kumar… - Journal of …, 2024 - Taylor & Francis
A series of new heteroleptic oxovanadium (IV) complexes with the general formula [VOL1–6
(Dcf)](1–6), where L1− 6= thiosemicarbazone (TSC)-based ligands and Dcf= diclofenac …

Multiply intercalator-substituted Cu (II) cyclen complexes as DNA condensers and DNA/RNA synthesis inhibitors

J Hormann, J Malina, O Lemke, MJ Hülsey… - Inorganic …, 2018 - ACS Publications
Many drugs that are applied in anticancer therapy such as the anthracycline doxorubicin
contain DNA-intercalating 9, 10-anthraquinone (AQ) moieties. When Cu (II) cyclen …

8-Alkylmercaptocaffeine derivatives: antioxidant, molecular docking, and in-vitro cytotoxicity studies

S Sargazi, S Shahraki, O Shahraki, F Zargari… - Bioorganic …, 2021 - Elsevier
Due to their unique pharmacological characteristics, methylxanthines are known as
therapeutic agents in a fascinating range of medicinal scopes. In this report, we aimed to …

Binding forces between a novel Schiff base palladium (II) complex and two carrier proteins: human serum albumi and β-lactoglobulin

S Shahraki, A Heydari - Journal of Biomolecular Structure and …, 2018 - Taylor & Francis
Ligand binding studies on carrier proteins are crucial in determining the pharmacological
properties of drug candidates. Here, a new palladium (II) complex was synthesized and …

Synthesis, characterization and biological assay of three new benzotriazole-based Zn (II) complexes

N Ling, X Wang, D Zeng, YW Zhang, X Fang… - Journal of Molecular …, 2020 - Elsevier
Three new Zn (II) complexes, namely [Zn (emimb) 2 Cl 2](1),[Zn (dmimb) 2 Cl 2](2) and [Zn
(bmem) 2 (SCN) 2](3), have been synthesized using the benzotriazole-based ligands, 1-((2 …

Metal-free, Mild, and Selective Synthesis of Bis(pyrazolyl)alkanes by Nucleophile-Catalyzed Condensation

M Tansky, Z Gu, RJ Comito - The Journal of Organic Chemistry, 2020 - ACS Publications
Bis (pyrazolyl) alkanes are a prolific class of ligands for catalysis, accessible by the
condensation between bis (pyrazolyl) methanones and carbonyls. In this report, we describe …

Synthesis, Characterization, Biological Activity, Computational Evaluation and Molecular Docking Simulation of Dimeric Cu (II) Carboxylate Complexes

A Karim, I Akbar, N Ullah, RE Malekshah… - Journal of Molecular …, 2024 - Elsevier
Copper (II) carboxylate complexes are important in biological fields. In this study, five new
dinuclear Cu (II) complexes having the general formulae [Cu 2 (Cl-PAA) 2 (DMSO) 2](1),[Cu …

In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE)

Q Yousafi, J Batool, MS Khan, T Perveen… - International Journal of …, 2021 - Springer
Hypertension is declared as the major risk factor of cardiovascular diseases and stroke, and
the leading cause of premature deaths. ACE is a zinc dependent dipeptidyl peptidase and …