Article
Chemistry, Analytical
Deepak Kumar, Rajasri Bhattacharyya, Dibyajyoti Banerjee
Summary: In this study, Fast Blue BB was identified to specifically stain the pseudoesterase activity of HSA in gel, with 2-NA as the ester substrate. The addition of neostigmine did not inhibit this activity, providing specificity to the method. A simple and novel method for HSA detection on gel was devised, allowing for accurate detection without interference from other esterases.
Article
Biochemistry & Molecular Biology
Razique Anwer, Khalid I. AlQumaizi, Shafiul Haque, Pallavi Somvanshi, Nazia Ahmad, Saleh M. AlOsaimi, Tasneem Fatma
Summary: Glipizide was found to have a high binding constant with human serum albumin (HSA) and exhibits static quenching mode with only one binding site. It interacts preferentially with sub-domain IIA of HSA and is thermodynamically favorable. This interaction results in a decrease in the alpha-helical content of HSA.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Talis Uelisson da Silva, Everton Tomaz Silva, Magaly Girao Albuquerque, Camilo Henrique da Silva Lima, Sergio de Paula Machado
Summary: In this study, the interactions between Cu(II) complexes with SOD-like activity and BSA were investigated using computational, docking, and molecular dynamics simulations. The results revealed the binding site and residues involved in the interaction. The theoretical calculations showed that the reduction of the complexes involved Cu(II)->Cu(I) reduction and the electron affinity correlated with the SOD-like activity. The docking and simulations demonstrated stable binding of the complexes in BSA and their mimetic activity in the same catalytic region.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Spectroscopy
Guowen Zhang, Na Li, Ying Zhang, Junhui Pan, Deming Gong
Summary: 4-Octylphenol interacts with human serum albumin to form a ground state complex governed by hydrogen bonds and hydrophobic forces, affecting the structure and properties of HSA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Junqiao Zhou, Cong Cheng, Lan Ma, Yuting Wu, Yang Zhang, Lingrui Li, Anping Yang, Laiyan Wu
Summary: This study investigated the interaction mechanisms of human serum albumin (HSA) with benzoylaconine (BAC) and benzoylhypacoitine (BHA) using multi-spectroscopic, molecular docking and dynamics simulation methods. The results showed that stable HSA-BAC/BHA complexes were formed through hydrogen bonds and van der Waals forces. BAC/BHA were suggested to embed into site I of HSA. Circular dichroism spectroscopy revealed a reduction in the α-helical structure content of HSA induced by BAC/BHA. Molecular docking and computer simulations identified key residues involved in the binding process between BAC/BHA and HSA.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
ShaoLi Lyu, Wang Wang
Summary: The study systematically investigated the interactions between AST and HSA, revealing that AST could reduce the intrinsic fluorescence of HSA through static quenching and non-radiative energy transfer. The major binding forces involved in the process were hydrogen bond, van der Walls force, and hydrophobic interaction.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Sharat Sarmah, Somdev Pahari, Sourav Das, Vinay Kumar Belwal, Madhurima Jana, Atanu Singha Roy
Summary: The non-enzymatic glycation of plasma proteins significantly reduces the binding affinity of HSA towards chrysin, while the % alpha-helicity of HSA is enhanced upon binding with chrysin. Chrysin mainly binds to subdomain IIA and IIIA of both HSA and gHSA in the interaction study.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Physical
Mohd Sajid Ali, Jayaraman Muthukumaran, Monika Jain, Teresa Santos-Silva, Hamad A. Al-Lohedan, Noura Saad Al-Shuail
Summary: The study investigated the binding of the cephalosporin-class drug cefoperazone with bovine serum albumin using spectroscopic techniques and in silico methods. The importance of correcting for the inner filter effect in this type of study was emphasized, and the binding mechanism was found to involve hydrogen bonding and hydrophobic forces with almost 1:1 static binding between BSA and CFP. Molecular docking and molecular dynamics simulation suggested the presence of a putative binding site between BSA domains 1 and 3, which could be a target for future research related to BSA-drug binding.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Mohd Sajid Ali, Md Tabish Rehman, Hamad A. Al-Lohedan, Mohamed Fahad AlAjmi
Summary: The study showed weak binding between cuminol and BSA, mainly through a static quenching mechanism. The binding was supported by hydrophobic forces with a minor contribution from hydrogen bonding. While the secondary structure of BSA remained relatively unchanged at low cuminol concentrations, partial unfolding occurred with higher cuminol concentrations.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Victor L. B. Franca, Jackson L. Amaral, Yandara A. Martins, Ewerton W. S. Caetano, Kellen Brunaldi, Valder N. Freire
Summary: Atrazine, a widely used herbicide, has been found to cause persistent contamination of water and soil due to its high resistance to degradation. It is associated with fertility issues, increased risk of prostate cancer, and birth defects. This study characterizes the binding of atrazine to human serum albumin (HSA) and identifies the most likely binding sites and the amino acid residues involved in the binding interactions.
CHEMICO-BIOLOGICAL INTERACTIONS
(2022)
Article
Environmental Sciences
Nazanin Farajzadeh-Dehkordi, Zohreh Zahraei, Sadegh Farhadian, Neda Gholamian-Dehkordi
Summary: This study investigates the cytotoxic effects of textile dye Reactive Black 5 (RB5) on the structure of human serum albumin (HSA) using molecular modeling and spectroscopic methods. The results reveal that RB5 forms a stable complex with HSA, leading to reduced biological activity.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Yuai Zhang, Yiqing Cao, Yan Li, Xuemei Zhang
Summary: Sulfonamides can interact with human serum albumin, leading to fluorescence quenching and changes in the secondary structure of the albumin.
Article
Spectroscopy
Xianjiu Liao, Chunlei Zhu, Ding Huang, Xiaoqing Wen, Shao-Lin Zhang, Yizhong Shen
Summary: The newly discovered PDK inhibitor XB-1 showed potent inhibitory effects on cancer cells but lacked selectivity, suggesting potential toxicity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Mohd Amir, Saleem Javed
Summary: This study evaluated the binding relationship between TPT and HSA, and found that the interaction between TPT and HSA triggered a static fluorescence quenching process. TPT preferred binding to site III of HSA, inducing conformational changes and reducing alpha-helical content. Additionally, TPT enhanced protein stability in the temperature range of 20 to 90 degrees C. The findings provide a clear picture of the impacts of TPT on HSA interaction.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Analytical
Somaye Shahraki, Zohreh Razmara, Hojat Samareh Delarami, Mahdiye Poorsargol
Summary: Human serum albumin (HSA) is a transport protein that binds to many drugs. This study investigated the binding interaction between erlotinib hydrochloride (Erlo) and HSA. The results showed that Erlo quenched the fluorescence emission of HSA through a static quenching mechanism. The binding between Erlo and HSA was moderate and driven by enthalpy, with van der Waals and hydrogen bond forces playing important roles.
Article
Pharmacology & Pharmacy
Marie Rouquette, Sinda Lepetre-Mouelhi, Opholie Dufrancais, Xue Yang, Julie Mougin, Gregory Pieters, Sebastien Garcia-Argote, Adriaan P. IJzerman, Patrick Couvreur
JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS
(2019)
Article
Multidisciplinary Sciences
Timothee Rivel, Christophe Ramseyer, Semen Yesylevskyy
SCIENTIFIC REPORTS
(2019)
Article
Biochemistry & Molecular Biology
Daniele Vinciguerra, Anna Degrassi, Laura Mancini, Simona Mura, Julie Mougin, Patrick Couvreur, Julien Nicolas
Article
Multidisciplinary Sciences
Semen Yesylevskyy, Timothee Rivel, Christophe Ramseyer
SCIENTIFIC REPORTS
(2019)
Article
Multidisciplinary Sciences
Flavio Dormont, Romain Brusini, Catherine Cailleau, Franceline Reynaud, Arnaud Peramo, Amandine Gendron, Julie Mougin, Francoise Gaudin, Mariana Varna, Patrick Couvreur
Article
Biochemistry & Molecular Biology
Cheng-Ham Wu, Yi Chen, Kyrylo A. Pyrshev, Yi-Ting Chen, Zhiyun Zhang, Kai-Hsin Chang, Semen O. Yesylevskyy, Alexander P. Demchenko, Pi-Tai Chou
ACS CHEMICAL BIOLOGY
(2020)
Article
Multidisciplinary Sciences
Mikhail Bogdanov, Kyrylo Pyrshev, Semen Yesylevskyy, Sergey Ryabichko, Vitalii Boiko, Pavlo Ivanchenko, Ramziya Kiyamova, Ziqiang Guan, Christophe Ramseyer, William Dowhan
Article
Medicine, Research & Experimental
Tarik Hadi, Christophe Ramseyer, Thomas Gautier, Pierre-Simon Bellaye, Tatiana Lopez, Antonin Schmitt, Sarah Foley, Semen Yesylevskyy, Thibault Minervini, Romain Douhard, Lucile Dondaine, Lil Proukhnitzky, Samir Messaoudi, Maeva Wendremaire, Mathieu Moreau, Fabrice Neiers, Bertrand Collin, Franck Denat, Laurent Lagrost, Carmen Garrido, Frederic Lirussi
Article
Chemistry, Physical
Semen Yesylevskyy, Himanshu Khandelia
Summary: The EnCurv method is introduced for maintaining membrane curvature in molecular dynamics simulations, allowing for any desired curvature in a lipid membrane sector bent in a single plane. The method is simple, easy to implement, and scales linearly with system size, while being agnostic to force field, simulation parameters, and membrane composition. The proof of principle implementation is compatible with most modern simulation packages and yields consistent results on model systems.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Chemistry, Physical
Mariia Savenko, Timothee Rivel, Semen Yesylevskyy, Christophe Ramseyer
Summary: The study found that supported lipid bilayers exhibit close-contact conformations on hydrophilic substrates, while they form self-assembled monolayers on hydrophobic substrates. Lipids and water at the surface undergo redistribution to maintain the stability of the bilayers on hydrophilic substrates, and the bilayer thickness and water molecules per lipid in the hydration layer change with hydrophilicity.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Review
Chemistry, Multidisciplinary
Romy Ettlinger, Ulrich Laechelt, Ruxandra Gref, Patricia Horcajada, Twan Lammers, Christian Serre, Patrick Couvreur, Russell E. Morris, Stefan Wuttke
Summary: The field of metal-organic frameworks (MOFs), particularly MOF nanoparticles, has seen significant growth in the last two decades. This tutorial review emphasizes the importance of systematic toxicity assessment and discusses the current state of in vitro and in vivo toxicity studies of MOF nanoparticles, as well as the key factors affecting their toxicity.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Chemistry, Medicinal
Carlos Rodriguez-Nogales, Didier Desmaele, Victor Sebastian, Patrick Couvreur, Maria J. Blanco-Prieto
Summary: A novel bone-affine squalene-based nanomedicine was developed by conjugating a hydroxybisphosphonate moiety to the squalene chain and inserting it into squalenoyl-gemcitabine nanoparticles. The presence of squalenyl-hydroxybisphosphonate enhanced nanoparticles' binding affinity for hydroxyapatite in bones and preserved their anticancer activity in vitro. Further in vivo studies are needed to explore the potential of these nanomedicines for treating bone sarcomas.
Article
Chemistry, Physical
Semen Yesylevskyy, Hector Martinez-Seara, Pavel Jungwirth
Summary: This study investigates the influence of membrane curvature on Ca2+ binding to phospholipid bilayers using molecular dynamics simulations. The results show that Ca2+ ions preferentially bind to the concave surfaces of both zwitterionic and anionic bilayers. The membrane curvature also leads to significant changes in binding, including differences in ion concentrations, lipid coordination distributions, and binding patterns to different chemical groups of lipids. The effects of curvature differ between the concave and convex monolayers, and charge scaling is found to reduce Ca2+ binding to curved phosphatidylserine bilayers.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Materials Science, Biomaterials
Vincent Pautu, Heng Zhao, Angelika Mielcarek, Anna Balasso, Patrick Couvreur, Christian Serre, Simona Mura
Summary: Biocompatible nanoscale iron carboxylate metal-organic frameworks (nanoMOFs) show potential in delivering therapeutic molecules efficiently, but their efficacy is hindered by the sequestration of loaded drugs in lysosomes, preventing them from reaching the nucleus, the subcellular target of the drug. Further optimization is needed to enhance successful drug delivery.
BIOMATERIALS SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Frederic Gobeaux, Joelle Bizeau, Firmin Samson, Laurent Marichal, Isabelle Grillo, Frank Wien, Semen O. Yesylevsky, Christophe Ramseyer, Marie Rouquette, Sinda Lepetre-Mouelhi, Didier Desmaele, Patrick Couvreur, Patrick Guenoun, Jean-Philippe Renault, Fabienne Testard