Article
Chemistry, Physical
Sona Lyndem, Upasana Hazarika, P. Athul, Anindita Bhatta, Vivek Prakash, Anupam Nath Jha, Atanu Singha Roy
Summary: This study investigated the molecular recognition of bovine hemoglobin with 7-hydroxycou-marin and 4-methyl-7-hydroxycoumarin. The results showed that the binding of these fluorescent compounds to hemoglobin is reversible and occurs through a static quenching mechanism. Hydrophobic forces and hydrogen bonding play important roles in the binding process.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Physical
Aurica Precupas, Anca Ruxandra Leonties, Andreea Neacsu, Daniel George Angelescu, Vlad Tudor Popa
Summary: Calorimetric, spectroscopic, and computational investigations were conducted to analyze the thermal stability and conformation of the bovine hemoglobin-naringenin complex. The results revealed that increasing naringenin concentration enhanced and altered the thermal signature of protein aggregation. Binding of naringenin caused minor conformational changes in the protein secondary structure. UV-Vis absorbance and dynamic light scattering measurements indicated the formation of large size aggregates in the presence of high naringenin concentration. Molecular docking and dynamics simulations showed that hydrogen bonds, electrostatic and hydrophobic interactions played significant roles in the binding process. The flavonoid exerted its influence on hemoglobin thermal aggregation as a free component of the system.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Muntjeeb M. Syed, Pooja J. Doshi, Ankita Bharshankh, Dilip D. Dhavale, Sudam L. Kate, Girish Kulkarni, Jignesh B. Doshi, Mohan Kulkarni
Summary: Genistein, a nutraceutical molecule found in soybean, shows inhibition of sickle hemoglobin polymerization and sickle reversal. Electrostatic interactions play a crucial role in the formation of genistein and sickle hemoglobin complex.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Ana-Maria Udrea, Andra Dinache, Jean-Marie Pages, Ruxandra Angela Pirvulescu
Summary: The study investigates the potential of BG1189 and BG1190 as efflux pump inhibitors through in silico and molecular docking approaches. The findings suggest that these compounds could be attractive candidates for antimicrobial drugs. UV-Vis absorption spectroscopy and FTIR spectroscopy were utilized to study the stability and effects of laser radiation on the molecules.
Article
Biochemistry & Molecular Biology
Sagar Panchal, Hitesh Sehrawat, Neera Sharma, Ramesh Chandra
Summary: In this study, noscapine based ionic liquids, namely MeNOS and MeBrNOS, were developed as cations supported with NTf2- as an anion. The mechanism of binding interaction between the ionic liquids and human hemoglobin (Hb) was investigated using spectroscopic and computational techniques. The results indicated exothermic binding, primarily driven by Van der Waals and hydrogen bonding interactions. Both [MeNOS]NTf2 and [MeBrNOS]NTf2 caused a decrease in Hb intensity, suggesting static quenching. Molecular docking studies showed strong binding in the beta 1 fragment of Hb's tetrameric structure, with [MeNOS]NTf2 exhibiting stronger binding than [MeBrNOS]NTf2, corroborated by MD simulations.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Spectroscopy
Narges Ashrafi, Behzad Shareghi, Sadegh Farhadian, Mansoore Hosseini-Koupaei
Summary: The present study investigates the interaction of naringenin with lysozyme in an aqueous medium using steady-state fluorescence, UV-Vis spectrophotometry, molecular docking studies, and circular dichroism (CD). The results show that naringenin can induce changes in the secondary and tertiary structure of lysozyme, switch from static quenching mechanism to intrinsic fluorescence, and the complex stability is determined by hydrophobic forces.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Biochemistry & Molecular Biology
Katarina Golianova, Samuel Havadej, Valeria Verebova, Jozef Ulicny, Beata Holeckova, Jana Stanicova
Summary: The interactions of epoxiconazole and prothioconazole with human serum albumin and bovine serum albumin were studied using spectroscopic methods and molecular modeling. The formation of pesticide/serum albumin complexes was found to be through a static mechanism, with association constants depending on the type of pesticide and albumin. Binding was mainly driven by hydrogen bonds and van der Waals interactions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Applied
Xueqing Lei, Zhiwei Qin, Bo Ye, Feng Guo, Yao Wu, Ling Liu
Summary: This study demonstrates the oxidation effect of three secondary lipid oxidation products (SLOPs) on hemoglobin (Hb) in a chicken model, and reveals that hydrophobic interaction is the main force between SLOPs and Hb.
Article
Hematology
Slimane Allali, Rachel Rignault-Bricard, Mariane de Montalembert, Melissa Taylor, Tahar Bouceba, Olivier Hermine, Thiago Trovati Maciel
Summary: Monocyte activation and systemic inflammation in sickle cell disease (SCD) are associated with the interaction between hemoglobin S (HbS) and Toll-like receptor 4 (TLR4), resulting in the expression of proinflammatory cytokines through the NF-KB and type I interferon pathways. This finding provides new insights for therapeutic approaches targeting the HbS-TLR4 interaction in SCD.
Article
Spectroscopy
Fatemeh Rostamnezhad, Mohammad Hossein Fatemi
Summary: The study investigated the interaction of acenaphthene (ACN), an environmental pollutant, with bovine serum albumin (BSA) through spectroscopic methods, molecular modeling, and chemometric approaches. The results showed that ACN quenched the fluorescence of BSA via a static mechanism and exhibited a high binding affinity to BSA, with one binding site involved in the BSA-ACN complex. Furthermore, molecular docking simulations suggested that ACN interacted with BSA mainly through van der Waals forces in the IA region of BSA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Kalpana Sharma, Raveendra Melavanki, Sudhir M. Hiremath, Raviraj Kusanur, H. S. Geethanjali, Nagaraja Nagaraja
Summary: In this study, the compounds 3-(2,4-Dichloro-phenyl)-1-pyridin-3-yl-propenone (3DPP) and 5-Phenyl-1-pyridin-3yl-penta-2,4-dien-1-one (5PPD) were synthesized and characterized using spectroscopic and computational methods. The optimized structures and geometric parameters were obtained and compared with experimental data. Molecular docking studies and other analyses were performed to understand the properties of these compounds.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Janmejaya Rout, Bikash Chandra Swain, Suchismita Subadini, Padmaja Prasad Mishra, Harekrushna Sahoo, Umakanta Tripathy
Summary: This study investigated the binding of vitamin B12 to hemoglobin using optical spectroscopy and computational methods, revealing quenching of hemoglobin's intrinsic fluorescence and resulting conformational changes. The study may have implications for treating pernicious anemia, hereditary transcobalamin deficiency, and improving athletic performance.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Biochemistry & Molecular Biology
Xianheng Li, Huan Li, Keqiang Lai, Junjian Miao
Summary: The interaction mechanism between hemoglobin and bisphenol A in diabetic patients and healthy individuals was investigated using spectroscopic and molecular docking techniques. The study found that glucose can interact with the hemoglobin-bisphenol A complex and alter its molecular structure. Glucose was also observed to bind to hemoglobin alone, albeit with weaker effects on its molecular structure. This study provides insights into the mechanism of bisphenol A toxicity in individuals with different blood glucose levels.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Medicine, Research & Experimental
Tariq Osman Khalafallah, Ahmed Abdalla Ajab Eldoor, Asaad Ma Babker, Abdulkarim S. Bin Shaya, Abdulaziz Alfahed, Nahed S. Alharithi, Ghfren S. Aloraini, Hisham Ali Waggiallah
Summary: This study aimed to analyze the HbS allele of the hemoglobin subunit beta gene in the Sudanese population. It discovered a new haplotype of the S gene and identified changes in hematological parameters due to sickle cell anemia.
JOURNAL OF INTERNATIONAL MEDICAL RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Mahsa Khorshidi, Saeid Asadpour, Zahra Aramesh-Boroujeni, Masoumeh Kooravand, Maryam Mobini Dehkordi
Summary: In this study, the synthesis of 4,9 diazafluoren-9-one ligand and [Y(Daf)2Cl3.OH2] complex was conducted. The complex's interaction with DNA and bovine serum albumin (BSA) was investigated using UV-vis and fluorescence spectroscopy, and the molecular docking method was employed to confirm the results. The binding constant and Stern-Volmer constant were calculated, showing the complex's binding energy with DNA and BSA. The yttrium complex exhibited anticancer activity on MCF-7 and A549 cell lines.
FRONTIERS IN CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Farzaneh Sadeghzadeh, Amir Arsalan Entezari, Kiana Behzadian, Kimia Habibi, Zeinab Amiri-Tehranizadeh, Ahmad Asoodeh, Mohammad Reza Saberi, Jamshidkhan Chamani
PROTEIN AND PEPTIDE LETTERS
(2020)
Article
Biochemistry & Molecular Biology
Hamideh Ghazizadeh, Mahdiyeh Yaghooti-Khorasani, Atieh Kamel Khodabandeh, Elahe Hasanzadeh, Toktam Sahranavard, Seyed Hamed Banihashem-Rad, Reza Zare-Feyzabadi, Mansoureh Sadat Ekhteraee-Toosi, Ensieh Akbarpour, Ameneh Timar, Maryam Mohammadi-Bajgiran, Reza Assaran-Darban, Ehsan Mosa Farkhany, Mohammad Reza Oladi, Gordon A. Ferns, Habibollah Esmaily, Majid Ghayour-Mobarhan
Summary: This study aimed to obtain reference intervals for various biochemical markers using indirect methods, for reporting results in primary healthcare centers. Differences were observed in reference intervals for different age and sex groups, with higher values for aspartate aminotransferase, alanine aminotransferase, and uric acid in males.
Article
Biochemistry & Molecular Biology
Najmeh Zare-Feizabadi, Zeinab Amiri-Tehranizadeh, Atena Sharifi-Rad, Parisa Mokaberi, Niknaz Nosrati, Fatemeh Hashemzadeh, Hamid Reza Rahimi, Mohammad Reza Saberi, Jamshidkhan Chamani
Summary: The interaction between calf thymus DNA and anastrozole was studied, indicating a potential intercalative binding mode. The presence of histone H1 increased the Stern-Volmer quenching constant, showing exothermic binding behavior. Hydrogen bonds and hydrophobic contributions play significant roles in anastrozole association with DNA, potentially inhibiting cell proliferation.
DNA AND CELL BIOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Soroush Behjati Hosseini, Maryam Asadzadeh-Lotfabad, Maryam Erfani, Fatemeh Babayan-Mashhadi, Parisa Mokaberi, Zeinab Amiri-Tehranizadeh, Mohammad Reza Saberi, Jamshidkhan Chamani
Summary: Through experimental results and molecular modeling, the binding of CUR to HSA, HTF, and (HSA-HTF) was studied, revealing negative thermodynamic parameters at different temperatures, confirming the significant roles of hydrogen bonding and van der-Waals forces in complex formation and showing different interaction behaviors between HSA-HTF complex and CUR in a ternary system compared to a binary system.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Multidisciplinary
Vida Reyhani, Saeid Zibaee, Parisa Mokaberi, Zeinab Amiri-Tehranizadeh, Fatemeh Babayan-Mashhadi, Jamshidkhan Chamani
Summary: The study demonstrated that lactoferrin (LF) extracted from camel milk can be purified and loaded onto calcium alginate (Alg) hydrogel particles, significantly promoting the growth of MG63 osteoblast cells. The most significant interaction between LF and Alg was observed at pH 8.
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Analytical
Narges Marjani, Maryam Dareini, Maryam Asadzade-Lotfabad, Mahtab Pejhan, Parisa Mokaberi, Zeinab Amiri-Tehranizadeh, Mohammad Reza Saberi, Jamshidkhan Chamani
Summary: This study investigated the interaction between PPF and calf thymus DNA (ct DNA) in the absence or presence of histone H1 using multiple spectroscopic techniques. PPF showed high binding affinity towards ct DNA in binary and ternary systems, with intercalation binding mode suggested by fluorescence quenching data and thermodynamic parameters. MD simulation suggested that PPF as an intercalating agent can distort the DNA structure.
Article
Biochemistry & Molecular Biology
Mahtab Mozafari, Safieh Ebrahimi, Reza Assaran Darban, Seyed Isaac Hashemy
Summary: The study revealed that the truncated isoform of NK1R (NK1R-Tr) is the predominantly expressed form in cervical cancer cells, and that SP promotes cell proliferation while NK1R antagonist aprepitant inhibits cell viability. SP alters the expression of cell cycle and apoptosis-related genes, with aprepitant reversing these effects and inducing G2 phase cell cycle arrest and subsequent apoptosis. Additionally, SP enhances cell migration and increases MMP-2 and MMP-9 expression, effects that are significantly reversed by aprepitant exposure.
MOLECULAR BIOLOGY REPORTS
(2022)
Article
Biotechnology & Applied Microbiology
Soodabeh Rezaei, Reza Assaran Darban, Hossein Javid, Seyed Isaac Hashemy
Summary: The substance P/neurokinin 1 receptor system is involved in regulating oxidative stress in glioblastoma, as activation of NK1R by substance P increases MDA and ROS levels and decreases thiol concentration in U87 cells. Aprepitant, by abrogating this axis, reduces oxidative stress and enhances antioxidant capacity in glioblastoma cells.
BIOMED RESEARCH INTERNATIONAL
(2022)
Article
Endocrinology & Metabolism
Fahimeh Moafian, Payam Sharifan, Reza Assaran Darban, Zahra Khorasanchi, Zahra Amiri, Samira Roohi, Fatemeh Mohseni Nik, Maryam Mohammadi Bajgiran, Sara Saffar Soflaei, Susan Darroudi, Hamideh Ghazizadeh, Maryam Tayefi, Mahdi Rafiee, Ali Ebrahimi Dabagh, Maryam Shojasiahi, Mahdiye Yaghoobinezhad, Nasrin Talkhi, Habibollah Esmaily, Gordon A. Ferns, Vahid Reza Dabbagh, Ramin Sadeghi, Majid Ghayour-Mobarhan
Summary: Bone indexes, including trabecular bone score (TBS) and bone mineral density (BMD), are associated with various factors such as physical activity, vitamin D, liver enzymes, biochemical measurements, mental and sleep disorders, and quality of life. Serum vitamin D, pro-oxidant-oxidant balance (PAB), and physical activity level (PAL) were found to be the most important factors related to bone indices in different sites of the body.
JOURNAL OF CLINICAL DENSITOMETRY
(2022)
Article
Chemistry, Multidisciplinary
Sara Ezazi-Toroghi, Sana Abdul-Jabbar Ali, Dmitry Olegovich Bokov, Maryam Dareini, Malihe Bahadori, Parisa Mokaberi, Zeinab Amiri-Tehranizadeh, Mohammad Reza Saberi, Jamshidkhan Chamani
Summary: This study investigated the interaction between glycated HSA and Met, and observed the impact of AgNPs on the interaction. The results showed that the presence of AgNPs caused conformational changes in the binding of Met to gHSA, leading to the formation of a larger species. The stability and heat behavior of HSA and gHSA were also affected by the presence of AgNPs.
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Analytical
Fateme Kalhori, Helya Yazdyani, Fatemeh Khademorezaeian, Negar Hamzkanloo, Parisa Mokaberi, Sare Hosseini, Jamshidkhan Chamani
Summary: In this study, cellulose nanocrystals (CNCs) were successfully extracted from Citrus medica L. pericarp using alkaline pretreatment and two-step bleaching. The extracted CNCs showed good morphological properties, no cytotoxic effects, and interaction with HMG-CoA reductase.
Article
Chemistry, Multidisciplinary
Sattar Khashkhashi-Moghadam, Samane Soleimani, Aileen Bazanjani, Saeideh Hoseinpoor, Reza Taheri, Parisa Mokaberi, Mohammad Reza Saberi, Jamshidkhan Chamani
Summary: Cellulose nanocrystals (CNCs) have gained increasing interest in drug delivery due to their low cost, biodegradability, and biocompatibility. This study synthesized and characterized CNCs loaded with tamoxifen (CNCs/TMX) to evaluate their binding mechanism to serum proteins. The results showed that CNCs can deliver small amounts of TMX to tumors over time, limiting dose-dependent toxicity. The findings from various analyses confirmed the structure and properties of CNCs/TMX and the formation of complexes with serum proteins. Furthermore, in vitro and in silico studies demonstrated the anticancer effects and conformational changes of carrier proteins in the presence of CNCs/TMX.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Pharmacology & Pharmacy
Atena Sharifi-Rad, Zeinab Amiri-Tehranizadeh, Atiye Talebi, Niknaz Nosrati, Morvarid Medalian, Mahtab Pejhan, Nazanin Hamzkanloo, Mohammad Reza Saberi, Parisa Mokaberi, Jamshidkhan Chamani
Summary: The interaction behavior between propyl acridones and calf thymus DNA was investigated, demonstrating intercalation of PA with ct-DNA and significant effects on DNA stability and conformation. The binding constants and thermodynamic parameters revealed multiple non-covalent interactions in the binding process. Additionally, molecular dynamics simulations supported the stability of DNA with increased concentrations of PA.
Article
Biochemical Research Methods
Faranak Korfi, Hossein Javid, Reza Assaran Darban, Seyed Isaac Hashemy
Summary: Aprepitant inhibits the oxidizing effects of SP by inducing the antioxidant effects of catalase and SOD in glioblastoma U87 cells, leading to reduced cell viability and increased enzyme activity and expression. This suggests aprepitant may serve as a potential candidate for controlling glioblastoma cancer in animal models and clinical trials.
BIOCHEMISTRY RESEARCH INTERNATIONAL
(2021)
Article
Chemistry, Multidisciplinary
Parisa Mokaberi, Vida Reyhani, Zeinab Amiri-Tehranizadeh, Mohammad Reza Saberi, Sima Beigoli, Farzaneh Samandar, Jamshidkhan Chamani
NEW JOURNAL OF CHEMISTRY
(2019)