Article
Chemistry, Physical
Mahin Dustkami, Hassan Mansouri-Torshizi, Khatereh Abdi, Effat Dehghanian, Maryam Saeidifar, Fatemeh Mohammadi
Summary: Two novel Pd(II) complexes were synthesized and characterized, and their antitumor activities and interactions with biomolecules DNA and HSA were evaluated. The results showed promising antitumor activities of the complexes in vitro and their static interactions with DNA and HSA.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Mehvash Zaki, Suboot Hairat, Saima Kamaal, Nada H. Aljarba, Norah S. AL-Johani, Saad Alkahtani
Summary: This study investigated the binding modes of Ni(L)(2).H2O with DNA and HSA using biophysical methods, revealing that it binds to DNA via surface electrostatic and minor groove modes, leading to partial destabilization of the DNA double helix and also interacts with HSA through static quenching mode.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
S. Chandrasekhar, M. S. Raghu, K. Yogesh Kumar, Fahd Alharethy, M. K. Prashanth, Byong-Hun Jeon
Summary: Two new quinazoline derivatives (2a and 2b) were successfully synthesized in this work using the condensation technique, and their detailed characterization was conducted. Density functional theory (DFT) computations were employed to investigate the reactivity and solvation effects of these compounds. The affinity of these compounds towards human serum albumin (HSA) was explored, and it was found that both compounds caused structural changes in HSA and preferred to bind to site I in the HSA subdomain IIA.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Analytical
Sharat Sarmah, Upasana Hazarika, Sony Moni Das, Sana Quraishi, Anindita Bhatta, Vinay Kumar Belwal, Anupam Nath Jha, Atanu Singha Roy
Summary: This study investigated the interaction between ovalbumin and four bioactive phytochemicals. The results showed that a static quenching mechanism occurred between flavonoids and ovalbumin, with hydrophobic forces playing a major role in the stability of the complexes. The binding of flavonoids to ovalbumin resulted in structural changes and may have an impact on the immunoglobulin E response pathway.
Article
Biochemistry & Molecular Biology
Mihaela Mic, Adrian Pirnau, Calin G. Floare, Raluca Borlan, Monica Focsan, Ovidiu Oniga, Mircea Bogdan, Laurian Vlase, Ilioara Oniga, Gabriel Marc
Summary: This study designed and synthesized a water-soluble molecule, CHT, with good antioxidant activity. The binding mechanism of CHT to human serum albumin was investigated using biophysical methods and computational studies, revealing the dominant forces involved in the binding and the enthalpy-driven nature of the process.
Article
Plant Sciences
Ana Maria Torres, Gonzalo Adrian Ojeda, Emilio Angelina, Soledad Bustillo, Nelida Peruchena, Loris Tonidandel, Roberto Larcher, Tiziana Nardin, Eduardo Dellacassa
Summary: This study demonstrates, for the first time, the compounds responsible for the anti-snake activity in Nectandra angustifolia based on in vitro and in silico assays. The results support the traditional use of this species as an anti-snake medicine in folk medicine.
JOURNAL OF ETHNOPHARMACOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Faizan Abul Qais, Tarique Sarwar, Iqbal Ahmad, Rais Ahmad Khan, Syed Ali Shahzad, Fohad Mabood Husain
Summary: Glyburide exhibits significant antiglycation activity, reducing the formation of early and advanced glycation end products by decreasing free lysine modification and enhancing biochemical markers. Additionally, glyburide shows strong binding affinity towards HSA, with binding process being entropically favorable and spontaneous.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Biochemistry & Molecular Biology
Jun-Li Guo, Guang-Yu Liu, Rui-Ying Wang, Shu-Xiang Sun
Summary: Two new essential metal mononuclear complexes were synthesized and their interaction mechanisms with proteins and anticancer activities were studied. The experimental results showed that these complexes exhibited promising pharmaceutical activities.
Article
Chemistry, Physical
M. S. Raghu, K. Yogesh Kumar, K. Veena, C. B. Pradeep Kumar, Amani Salem Almalki, G. Mani, Fatmah Ali Alasmary, M. K. Prashanth
Summary: A novel series of pteridine derivatives (3a-e) have been synthesized, with compounds 3b and 3e showing the highest impact against bacterial and fungal strains. Various spectroscopic and molecular docking methods were used to study the binding behavior of these derivatives with human serum albumin (HSA).
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Borge S. Petrovic, Sandra S. Jovicic Milic, Maja B. Dukic, Ivana D. Radojevic, Milena M. Jurisevic, Nevena M. Gajovic, Angela Petrovic, Nebojsa N. Arsenijevic, Ivan P. Jovanovic, Edina Avdovic, Danijela Lj. Stojkovic, Verica V. Jevtic
Summary: Four new ligands and their corresponding palladium(II) complexes were synthesized and characterized. The interaction between the complexes and human serum albumin (HSA) was studied using fluorescence spectroscopy. The most active and selective compound, ligand L4, showed potential for future in vivo testing and induced cell death mainly by apoptosis.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Spectroscopy
Nicoleta Sandu, Claudia G. Chilom, Aurel Popescu
Summary: The study found that the binding of three flavonoids to HST can affect HST stability through different interaction forces, such as hydrophobic for rutin and luteolin and electrostatic for apigenin. The results suggest the potential use of HST for targeted delivery of flavonoids and other drugs into cells.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Mihaela Mic, Adrian Pirnau, Calin G. Floare, Gabriel Marc, Ana H. Franchini, Ovidiu Oniga, Laurian Vlase, Mircea Bogdan
Summary: In this study, a water-soluble molecule DPTH with good antioxidant activity was designed, synthesized, and analyzed. The interaction between DPTH and human serum albumin (HSA) was investigated, showing a certain affinity between them.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Nouf E. Alshaikh, Mehvash Zaki, Abeer A. Sharfalddin, Najlaa S. Al-Radadi, Mostafa A. Hussien, Walid M. I. Hassan
Summary: Researchers synthesized five transition metal complexes of D-luciferin (LN) and studied their structures and properties. The complexes showed non-covalent binding with DNA and HSA, and exhibited significant cytotoxic activity against breast cancer and liver cancer cells.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Applied
Rais Ahmad Khan, Amal AlFawaz, Nida N. Farshori, Anup Paul, Mohammed H. Jaafar, Ali Alsalme
Summary: Two organometallic ruthenium (II) complexes containing analogs of aminobenzimidazole were synthesized and characterized. Their binding affinity with human serum albumin and cytotoxic potential against cancer cells were evaluated. One of the complexes showed promising cytotoxic properties, indicating its potential as an anticancer therapeutic.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Food Science & Technology
Nana Li, Jing Yang, Chunyu Wang, Liyang Wu, Yongping Liu
Summary: Type 2 diabetes mellitus and Alzheimer's disease are two separate non-infectious diseases, but evidence shows that insulin resistance directly affects the glucose metabolism in the central nervous system, leading to neurodegenerative disorders like Alzheimer's disease. Therefore, developing drugs with fewer side effects to treat both diseases has become a focus of research.
Article
Chemistry, Applied
Claire Dufour, Michele Loonis, Mylene Delosiere, Caroline Buffiere, Noureddine Hafnaoui, Veronique Sante-Lhoutellier, Didier Remond
Article
Chemistry, Applied
T. Sayd, C. Dufour, C. Chambon, C. Buffiere, D. Remond, V. Sante-Lhoutellier
Article
Biochemical Research Methods
Andre Brodkorb, Lotti Egger, Marie Alminger, Paula Alvito, Ricardo Assuncao, Simon Ballance, Torsten Bohn, Claire Bourlieu-Lacanal, Rachel Boutrou, Frederic Carriere, Alfonso Clemente, Milena Corredig, Didier Dupont, Claire Dufour, Cathrina Edwards, Matt Golding, Sibel Karakaya, Bente Kirkhus, Steven Le Feunteun, Uri Lesmes, Adam Macierzanka, Alan R. Mackie, Carla Martins, Sebastien Marze, David Julian McClements, Olivia Menard, Mans Minekus, Reto Portmann, Claudia N. Santos, Isabelle Souchon, R. Paul Singh, Gerd E. Vegarud, Martin S. J. Wickham, Werner Weitschies, Isidra Recio
Article
Nutrition & Dietetics
Carine Le Bourvellec, Priscilla Bagano Vilas Boas, Pascale Lepercq, Sophie Comtet-Marre, Pauline Auffret, Philippe Ruiz, Romain Bott, Catherine M. G. C. Renard, Claire Dufour, Jean-Marc Chatel, Pascale Mosoni
Article
Biochemistry & Molecular Biology
Mirza Bojic, Martin Kondza, Hrvoje Rimac, Goran Benkovic, Zeljan Males
Article
Biochemistry & Molecular Biology
Hrvoje Rimac, Tana Tandaric, Robert Vianello, Mirza Bojic
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2020)
Article
Chemistry, Medicinal
Prateek Pathak, Hrvoje Rimac, Maria Grishina, Amita Verma, Vladimir Potemkin
Summary: A series of hybrid quinazoline-1,3,5-triazine derivatives as EGFR inhibitors were synthesised and tested, showing activity against cancer cell lines with compounds 7c, 7d, 7e, and 7j being the most potent. In vitro and in silico techniques were used to elucidate essential substituent groups, with SAR studies performed for compound optimisation. Compound 7e showed promising activity against breast cancer in vivo and may serve as a lead compound for further anti-EGFR drug development.
Article
Biochemical Research Methods
Shivananda Kandagalla, Sharath Belenahalli Shekarappa, Hrvoje Rimac, Maria A. Grishina, Vladimir A. Potemkin, Manjunatha Hanumanthappa
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2020)
Article
Biochemistry & Molecular Biology
Sharath Belenahalli Shekarappa, Hrvoje Rimac, Julian Lee
Summary: This study employed molecular docking and molecular dynamics simulations to investigate molecules that are chemically similar to known AI2 inhibitors. The results showed that some of these molecules can form stable complexes with the AI2 receptor protein, suggesting their potential as novel AI2 inhibitors.
Article
Biochemistry & Molecular Biology
Daniela Jaksic, Maja Segvic Klaric, Hrvoje Rimac, Robert Kerep, Ivo Piantanida
Summary: This study shows that sterigmatocystin (STC) can interact with cyclodextrins (CDs), with the highest affinity observed for sugammadex and gamma-CD. Molecular modelling and fluorescence spectroscopy revealed that STC inserts better into larger CDs. In addition, the study found that STC has a much lower affinity for human serum albumin (HSA) compared to sugammadex and gamma-CD, indicating that CDs can effectively displace STC from the STC-HSA complex.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Pavan Gollapalli, B. S. Sharath, Hrvoje Rimac, Prakash Patil, Suchetha Kumari Nalilu, Shivanandha Kandagalla, Praveenkumar Shetty
Summary: SARS-CoV-2 is a pandemic that has caused global health concerns, with no effective drugs available for treatment. Research has shown that protein-protein interactions between the virus and host cells play a crucial role in the pathogenesis. In this study, a network medicine approach was used to virtually screen 55 compounds and identify potential molecules that can block the entry of the virus by binding to its spike glycoprotein.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Multidisciplinary
Martin Kondza, Hrvoje Rimac, Zeljan Males, Petra Turcic, Ivan Cavar, Mirza Bojic
CROATICA CHEMICA ACTA
(2020)
Article
Pharmacology & Pharmacy
Ivana Babic, Mirza Bojic, Zeljan Males, Renata Zadro, Koraljka Gojceta, Ivan Duka, Hrvoje Rimac, Irena Jukic
ACTA PHARMACEUTICA
(2019)
Article
Biochemistry & Molecular Biology
Gaetan Bolea, Christian Ginies, Marie-Jose Vallier, Claire Dufour
Article
Chemistry, Multidisciplinary
Goran Benkovic, Hrvoje Rimac, Zeljan Males, Sinisa Tomic, Zoran Loncar, Mirza Bojic
CROATICA CHEMICA ACTA
(2019)