Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19
S Vazquez-Rodriguez, D Ramírez-Contreras… - Frontiers in …, 2023 - frontiersin.org
SARS-CoV-2 is the virus responsible for the COVID-19 pandemic. For the virus to enter the
host cell, its spike (S) protein binds to the ACE2 receptor, and the transmembrane protease …
host cell, its spike (S) protein binds to the ACE2 receptor, and the transmembrane protease …
Investigating the biophysical interaction of serum albumins-gold nanorods using hybrid spectroscopic and computational approaches with the intent of enhancing …
D Rajan, R Rajamanikandan, M Ilanchelian - Journal of Molecular Liquids, 2023 - Elsevier
In this contribution, biophysical aspects of binding interaction, conformational changes, and
molecular simulation studies of human and bovine serum albumins (HSA and BSA) exposed …
molecular simulation studies of human and bovine serum albumins (HSA and BSA) exposed …
SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations
L Tumakuru Nagarajappa, K Ravi Singh… - Journal of …, 2023 - Taylor & Francis
Two novel thiazole derivatives, ethyl 5-((4-fluorophenyl) carbamoyl)-thiazole-4-carboxylate
(2b) and ethyl 5-(p-tolylcarbamoyl) thiazole-4-carboxylate (6b) have been synthesized, and …
(2b) and ethyl 5-(p-tolylcarbamoyl) thiazole-4-carboxylate (6b) have been synthesized, and …
pH-Sensitive Gold Nanorods for Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) Delivery and DNA-Binding Studies
E Zygouri, V Bekiari, G Malis, NK Karamanos… - Molecules, 2023 - mdpi.com
A facile experimental protocol for the synthesis of poly (ethylene glycol)-modified
(PEGylated) gold nanorods (AuNRs@ PEG) is presented as well as an effective drug …
(PEGylated) gold nanorods (AuNRs@ PEG) is presented as well as an effective drug …
Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bioactive Mn (ii), Co (ii) and Ni (ii) complexes …
K Sakthikumar, BK Isamura, RWM Krause - RSC Medicinal Chemistry, 2023 - pubs.rsc.org
A novel class of bioactive complexes (1–3)[MII (L) 2 (bpy)], where, L= 2-(4-
morpholinobenzylideneamino) phenol, bpy= 2, 2′-bipyridine, MII= Mn (1), Co (2) or Ni (3) …
morpholinobenzylideneamino) phenol, bpy= 2, 2′-bipyridine, MII= Mn (1), Co (2) or Ni (3) …
A comparison of in vitro studies between cobalt (III) and copper (II) complexes with thiosemicarbazone ligands to treat triple negative breast cancer
DR Alajroush, CB Smith, BF Anderson, IT Oyeyemi… - Inorganica Chimica …, 2024 - Elsevier
Metal complexes have gained significant attention as potential anti-cancer agents. The anti-
cancer activity of [Co (phen) 2 (MeATSC)](NO 3) 3· 1.5 H 2 OC 2 H 5 OH 1 (where phen= 1 …
cancer activity of [Co (phen) 2 (MeATSC)](NO 3) 3· 1.5 H 2 OC 2 H 5 OH 1 (where phen= 1 …
DNA binding, potential anticancer, antioxidant and molecular docking simulations of some isonicotinohydrazide metal complexes with the impact of high energy γ-rays …
OA EL-Gammal, HA El-Boraey, H Alshater - Journal of Molecular Structure, 2024 - Elsevier
This work focuses on the preparation and characterization of some VO (II), Co (II), Cu (II), Zn
(II) and Hg (II) complexes (1–5) of N'-(2-aminobenzoyl) isonicotinohydrazide ligand (HL) …
(II) and Hg (II) complexes (1–5) of N'-(2-aminobenzoyl) isonicotinohydrazide ligand (HL) …
[HTML][HTML] Comparative Study of Docking Tools for Evaluation of Potential Copper Metallodrugs and Their Interaction with TMPRSS2
S Vázquez-Rodríguez, D Ramírez-Contreras… - Inorganics, 2024 - mdpi.com
COVID-19 has caused over seven million deaths globally due to its high transmission rate.
The virus responsible for the disease requires a transmembrane protease serine type II …
The virus responsible for the disease requires a transmembrane protease serine type II …
Comprehensive Assessment of Biomolecular Interactions of Morpholine‐Based Mixed Ligand Cu (II) and Zn (II) Complexes of 2, 2′‐Bipyridine as Potential …
K Sakthikumar, RWM Krause… - Bioinorganic Chemistry …, 2022 - Wiley Online Library
A new class of pharmacologically active mixed‐ligand complexes (1a‐2a)[MII (L) 2 (bpy)],
where L= 2‐(4‐morpholinobenzylideneamino) phenol), bpy= 2, 2′‐bipyridine, MII= Cu (1a) …
where L= 2‐(4‐morpholinobenzylideneamino) phenol), bpy= 2, 2′‐bipyridine, MII= Cu (1a) …
An Integrated Analysis of Mechanistic Insights into Biomolecular Interactions and Molecular Dynamics of Bio-Inspired Cu (II) and Zn (II) Complexes towards DNA/BSA …
K Sakthikumar, BK Isamura, RWM Krause - Biomolecules, 2022 - mdpi.com
Novel constructed bioactive mixed-ligand complexes (1b)[CuII (L) 2 (phen)] and (2b)[ZnII (L)
2 (phen)]{where, L= 2-(4-morpholinobenzylideneamino) phenol), phen= 1, 10 …
2 (phen)]{where, L= 2-(4-morpholinobenzylideneamino) phenol), phen= 1, 10 …