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 …

Multispectroscopic studies of binding interaction of phosmet with bovine hemoglobin

L Kaur, A Singh, A Datta, H Ojha - … Acta Part A: Molecular and Biomolecular …, 2023 - Elsevier
Phosmet is a phthalimide derived broad spectrum organophosphate pesticide which is
vastly used across the globe to protect several ornamental or horticulture crops. The toxicity …

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 …

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 …

Probing the toxic effect of chlorpyrifos as an environmental pollutant on the structure and biological activity of lysozyme under physiological conditions

S Asgharzadeh, B Shareghi, S Farhadian - Chemosphere, 2024 - Elsevier
The pervasive use of pesticides like chlorpyrifos (CPY) has been associated with deleterious
effects on biomolecules, posing significant risks to environmental integrity, public health, and …

Binding and mechanistic studies of 5-HT7 specific benzothiazolone derivatives with bovine serum albumin: Spectroscopic and in silico studies

D Singh, L Kaur, AJ Rahman, P Singh, AK Tiwari… - Journal of Molecular …, 2022 - Elsevier
Serotonin, commonly known as 5-Hydroxytryptamine, or 5-HT, is a neurotransmitter having a
single amine group and is distributed throughout the peripheral nervous system (PNS) and …

Unravelling the molecular interactions of phenyl isothiocyanate and benzoyl isothiocyanate with human lysozyme: Biophysical and computational analyses

I Hussain, S Fatima, M Tabish - Spectrochimica Acta Part A: Molecular and …, 2024 - Elsevier
Phenyl isothiocyanate and benzoyl isothiocyanate are the phytochemicals present in the
Brassicaceae family. They have antibacterial, antiapoptotic and antifungal properties …

Molecular interactions and binding dynamics of Alpelisib with serum albumins: insights from multi-spectroscopic techniques and molecular docking

A Jalan, NS Moyon - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
Alpelisib (ALP) is a potent anti-cancer drug showing promising activity against advanced
breast cancers. Hence, profound understanding of its binding dynamics within the …

Unraveling the binding behavior of the antifouling biocide 4, 5-dichloro-2-n-octyl-4-isothiazolin-3-one with human serum albumin: Multi-spectroscopic, atomic force …

J Zhou, J Li, C Cheng, YJ Yao, Y Li, H Liu… - International Journal of …, 2024 - Elsevier
As a marine antifouling biocide, 4, 5-dichloro-2-n-octyl-4-isothiazolin-3-one (DCOIT)
exhibited high toxicity to marine organisms. This study investigated the interaction between …

Evidence for paraquat-pepsin interaction: In vitro and silico study

N Farokhvand, B Shareghi, S Farhadian - Chemosphere, 2024 - Elsevier
The use of the herbicide paraquat (PQ) has raised concerns about potential environmental
consequences due to its toxicity and persistence in the environment. Considering the affinity …