Structural alterations and inhibition of lysozyme activity upon binding interaction with rotenone: Insights from spectroscopic investigations and molecular dynamics …

S Asgharzadeh, B Shareghi, S Farhadian - International Journal of …, 2024 - Elsevier
The pervasive employment of pesticides such as rotenone on a global scale represents a
substantial hazard to human health through direct exposure. Therefore, exploring the …

Binding studies for the interaction between hazardous organophosphorus compound phosmet and lysozyme: spectroscopic and in-silico analyses

L Kaur, AJ Rahman, A Singh, M Pathak, A Datta… - Journal of Molecular …, 2022 - Elsevier
Organophosphorus compounds are generally toxic compounds found uses in agriculture,
pharmaceutics, and other industries. These organophosphorus compounds are life …

Reactive Oxygen‐Correlated Photothermal Imaging of Smart COF Nanoreactors for Monitoring Chemodynamic Sterilization and Promoting Wound Healing

X Zhu, T Feng, Y Chen, Y Xiao, W Wen, S Wang… - Small, 2024 - Wiley Online Library
Chemodynamic therapy (CDT) has emerged as a promising approach for treating infected
diabetic wounds, while reliable imaging technology for simultaneous monitoring of ROS and …

Unravelling the thermodynamics and binding interactions of bovine serum albumin (BSA) with thiazole based carbohydrazide: Multi-spectroscopic, DFT and molecular …

P Rani, S Chahal, R Kataria, P Kumar, S Kumar… - Journal of Molecular …, 2022 - Elsevier
In the present manuscript, a novel 2-((4-chlorophenyl) amino)-N'-(4-(diethylamino)-2-
hydroxybenzylidene) thiazole-4-carbohydrazide (H1) has been synthesized and …

Binding interactions of Vildagliptin with pepsin: A multi-spectroscopic and in-silico approach and a comparative account with metformin

P Verma, L Kaur, P Aswal, A Singh, R Pandey… - … Acta Part A: Molecular …, 2024 - Elsevier
Abstract Vildagliptin (VDG) and Metformin (Met) belong to a class of dipeptidylpeptidase-4
(DPP-4) inhibitor and biguanide, respectively and used for the management of diabetes …

In vitro anticancer activity of Pd (II) complexes with pyridine scaffold: Their bioactivity, role in cell cycle arrest, and computational study

R Bhaduri, A Pan, SK Tarai, S Mandal, A Bagchi… - Journal of Molecular …, 2022 - Elsevier
A series of Pd (II) based complexes [Pd (PEA) Cl 2]; Pd1,[Pd (PEA)(H 2 O) 2] 2+; Pd2,[Pd
(PEA)(DL-meth)] 2+; Pd3,[Pd (PEA)(DL-pen)]+; Pd4,[Pd (PEA)(OX)]; Pd5 and [Pd …

Quinoxaline-derived “turn-off” fluorescent sensor for the selective detection of Fe3+: Synthesis, spectroscopic analysis, BSA binding and computational studies

L Narayan, J Sindhu, P Kumar, A Kumar… - Journal of Molecular …, 2023 - Elsevier
A simple quinoxaline-based “turn-off” fluorescent sensor 12-{[1-(4-isopropylphenyl)-1H-1, 2,
3-triazol-5-yl] methyl} c-12H-benzo [5, 6][1, 4] thiazino [2, 3-b] quinoxaline (BTQT) was …

Molecular Recognition Study toward the Mitochondrial Electron Transport Chain Inhibitor Mubritinib and Human Serum Albumin

TM Menezes, G Seabra, JL Neves - Molecular Pharmaceutics, 2023 - ACS Publications
The ability to bind plasma proteins helps in comprehending relevant aspects related to the
pharmacological properties of many drugs. Despite the vital role of the drug mubritinib …

Studies on synthesis, physicochemical properties, biological activities of two novel berberine-based salts with DL-mandelate and cinnamate anions

H Lu, Z Yan, M Sun - Journal of Molecular Structure, 2023 - Elsevier
Berberine (BBR) is a natural quaternary isoquinoline alkaloid which is derived from the
traditional Chinese medicine Coptis chinensis and exerts various pharmacological effects …

Mixed ligand approach for novel hydrazide copper (II) complexes: Structural aspects, theoretical investigation and their biological evaluation

Richa, Kiran, N Kushwaha, E Jaiswal… - Applied …, 2023 - Wiley Online Library
In this paper, two novel Cu (II) complexes [CuL (S‐1‐amino‐2‐propanol)](R1) and [CuL (S‐2‐
amino‐1‐propanol)](R2) have been synthesized and characterized using Fourier transform …