Article
Chemistry, Physical
Nahid Shahabadi, Farshad Shiri, Reza Khodarahmi
Summary: The study demonstrates the interaction of a copper(I) bis-triphenylphosphine-based complex with double-stranded DNA via a minor groove binding mode. The findings reveal that the complex acts as a groove binder and the Van der Waals forces play a key role in the interaction mechanism. Additionally, fluorescent DNA melting analysis shows that the Cu(I) complex destabilizes DNA base pairs, facilitating the transition from double-stranded DNA to single-stranded DNA.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Letter
Oncology
Xubo Gong, Piaoping Kong, Teng Yu, Xibin Xiao, Lin Wang, Yiwen Sang, Xiang Li, Bin Zhang, Zhihua Tao, Weiwei Liu
Summary: This study reported a case of atypical APL patient with slow disease progression over nearly 2 years without anti-leukemia therapy. The results showed that anti-HBV drugs ADV and ETV exhibited significant inhibitory effects on APL cells, with ADV demonstrating stronger cytotoxicity. ADV also promoted APL cell differentiation and apoptosis, thereby restraining the progression of APL. The study uncovered a novel mechanism of ADV prohibiting APL progression by inhibiting TRIB3 and degrading PML-RARA.
EXPERIMENTAL HEMATOLOGY & ONCOLOGY
(2022)
Article
Immunology
Linda Voss, Karina Guttek, Annika Reddig, Annegret Reinhold, Martin Voss, Burkhart Schraven, Dirk Reinhold
Summary: Screening FDA-approved drug library identified ADV as a potent compound inhibiting T cell proliferation and affecting various cellular functions. ADV treatment induced DNA damage, cell cycle arrest, and activation of apoptosis pathway, suggesting its potential as a candidate for treating T cell-mediated autoimmune diseases.
FRONTIERS IN IMMUNOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Zeinab Mirzaei-Kalar, Ali Akbar Khandar, Jonathan M. White, Hoda Abolhasani, Tahereh Komeili Movahhed, Stephen P. Best, Abolghasem Jouyban
Summary: After the accidental discovery of cis-platinum, extensive research has been done on designing metallic compounds for cancer treatment. A solvent-dependent complex of nickel (II) with 1,10-phenanthroline and naproxen has been synthesized and its in vitro DNA binding and cytotoxicity on cancer cells have been studied. The results show that the complex has better inhibition on HT 29 cancer cells compared to cisplatin, but lower inhibition on HEK-293 normal cells.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Upasana Issar, Richa Arora, Rita Kakkar
Summary: The interaction between minor groove binder Hoechst 33258 and the Dickerson-Drew DNA dodecamer sequence was studied using various computational methods. Twelve different ionization and stereochemical states of the ligand were obtained and docked into B-DNA. Most of these states showed good docking scores and binding energies. Molecular dynamics simulations revealed the best docked state, which had highly negative coulombic interaction energy. However, the polar interactions were offset by unfavorable solvation energies, indicating that nonpolar forces, particularly van der Waals contacts, dominated the interaction.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Ali Akbar Khandar, Zeinab Mirzaei-Kalar, Nahid Shahabadi, Saba Hadidi, Hoda Abolhasani, Seyed Abolfazl Hosseini-Yazdi, Abolghasem Jouyban
Summary: This study investigated the binding of zinc-naproxen complex to CT-DNA using spectroscopic techniques and molecular docking. The results showed that the complex binds to CT-DNA in groove binding mode and has the ability to cleave DNA. Additionally, the cytotoxicity on different cell lines and antimicrobial activity of the complex were also studied.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Mahboube Eslami Moghadam, Khadijeh Tavakoli Hafshajani, Nasrin Sohrabi, Morteza Rezaeisadat, Mohsen Oftadeh
Summary: In this study, both experimental and theoretical approaches were used to investigate the interaction between a Pt derivative and ct-DNA, an anticancer drug. The mode of DNA binding was evaluated through various spectroscopic methods, docking, and molecular dynamics simulation studies. Results showed that the interaction occurred through groove binding, as evidenced by UV-Vis, fluorescence spectroscopy, and thermal stability studies. The thermodynamic parameters and binding constant indicated that the complex-DNA formation is a spontaneous process mainly driven by H-bonding and groove binding. The theoretical studies demonstrated that the formation of [Pt(NH3)(2)(Isopentylgly)1NO(3)-DNA took place at the C-G center on DNA, leading to increased stability of the DNA-compound complex. The IC50 value against the human breast cell line suggests that the presence of the Isopentyl glycine ligand in the Pt compound contributes to its anticancer activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Medicinal
Thane Jones, John E. Tavis, Qilan Li, Olga Riabova, Natalia Monakhova, Daniel P. Bradley, Thomas R. Lane, Vadim Makarov, Sean Ekins
Summary: Hepatitis B virus (HBV) is a hepatotropic DNA virus that chronically infects over 296 million people worldwide and causes a significant number of deaths annually. Current therapies for HBV are not able to eradicate the virus completely, so there is a need for additional antiviral drugs. In a preliminary screening, a compound called 11826096 showed promising antiviral activity against HBV. The mechanism of action is unknown, but it may be related to activities involved in RNA accumulation, translation, capsid assembly, and/or capsid stability. Machine learning models were not able to predict the activity of these compounds due to their novelty.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Thane Jones, John E. Tavis, Qilan Li, Olga Riabova, Natalia Monakhova, Daniel P. Bradley, Thomas R. Lane, Vadim Makarov, Sean Ekins
Summary: Hepatitis B virus (HBV) is a hepatotropic DNA virus that infects a large number of people worldwide and causes significant mortality. Current therapies are insufficient in eradicating the virus, and a new antiviral drug is needed. A preliminary screen of dispirotripiperazines identified a potential lead compound with potent activity against HBV. The mechanism of action is unclear, but preliminary assays suggest possible targets related to RNA accumulation, translation, capsid assembly, and/or capsid stability. Machine learning models were not able to predict the activity of these novel compounds due to their uniqueness outside of the model's applicability domain.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Kazuki Nishimura, Yanzhao Wang, Yoshihiro Ogura, Jun Kumagai, Kazuaki Ishihara
Summary: This study describes the application of a novel chiral copper(II) complex catalyst in the alpha-chlorination and bromination reactions of N-acyl-3,5-dimethylpyrazoles. The catalyst enhances Lewis acidity and suppresses undesired halogen bonding by generating enolate species in situ, leading to high-yield and highly enantioselective synthesis of alpha-halogenated compounds.
Article
Spectroscopy
S. Ponkarpagam, K. N. Vennila, Kuppanagounder P. Elango
Summary: The interaction between the oral contraceptive drug Ormeloxifene (ORM) and calf thymus DNA (CT-DNA) was studied using various spectral techniques, and it was found that ORM binds to CT-DNA in the minor groove, mainly driven by H-bonding and van der Waals forces.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Guilin Hu, Jingyi He, Yongjun Li
Summary: This study presents a method for synthesizing high-quality GDY and explores its growth mechanism in other solvents. GDY exhibits enhanced photocatalytic activity upon hybridization with π-conjugated molecules, which is beneficial for constructing novel heterojunction materials.
Article
Chemistry, Multidisciplinary
Luyuan Li, Zunting Pang, Kun Ma, Yuan Gao, Daoyi Zheng, Yuanfeng Wei, Jianjun Zhang, Shuai Qian
Summary: The dissolution rates of ADD cocrystals were improved by ADD-SAC cocrystal > ADD-PA cocrystal > ADD-NIC cocrystal. In vivo pharmacokinetic study showed that ADD-PA and ADD-SAC cocrystals exhibited higher C-max and AUC(0-t) of ADD compared to ADD alone, attributed to higher dissolution and improved intestinal permeability. Coformer selection plays an important role in the properties of cocrystals, with cocrystallization being an effective approach to enhance dissolution and bioavailability of ADD.
PHARMACEUTICAL RESEARCH
(2021)
Article
Immunology
Zhouqi Tang, Tengfang Li, Helong Dai, Chen Feng, Xubiao Xie, Fenghua Peng, Gongbin Lan, Shaojie Yu, Yu Wang, Chunhua Fang, Manhua Nie, Xiaoqiong Yuan, Xiaotian Tang, Xin Jiang, Xuejing Zhu, Yuxi Fan, Jiawei Peng, Siyu Sun, Mingda Zhong, Hedong Zhang, Longkai Peng
Summary: This study reported drug-induced Fanconi syndrome after kidney transplantation and summarized the different clinical manifestations and treatment methods caused by two different drugs.
FRONTIERS IN IMMUNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Riccardo Bondi, Lisa Dalla Via, Mariafrancesca Hyeraci, Gioele Pagot, Luca Labella, Fabio Marchetti, Simona Samaritani
Summary: The newly synthesized platinum(II) iminopyridine complexes exhibit good solubility and stability, with good interactions with DNA and significant antiproliferative activity on ovarian carcinoma cells. Complex 13 shows the ability to overcome cisplatin resistance and forms a dual geometry molecular complex with DNA, with hindered interstrand cross-links compared to cisplatin. The interactions with DNA are discussed in relation to the observed cell effects.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2021)
Article
Optics
Nahid Shahabadi, Monireh Falsafi, Saba Hadidi
JOURNAL OF LUMINESCENCE
(2015)
Article
Biophysics
Nahid Shahabadi, Monireh Falsafi, Kamran Mansouri
COLLOIDS AND SURFACES B-BIOINTERFACES
(2016)
Article
Chemistry, Physical
Nahid Shahabadi, Alireza Akbari, Mina Jamshidbeigi, Monireh Falsafi
JOURNAL OF MOLECULAR LIQUIDS
(2016)
Article
Biochemistry & Molecular Biology
Nahid Shahabadi, Monireh Falsafi, Maryam Maghsudi
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
(2017)
Article
Chemistry, Multidisciplinary
Nahid Shahabadi, Monireh Falsafi, Foroozan Feizi, Reza Khodarahmi
Article
Biochemistry & Molecular Biology
Nahid Shahabadi, Mohammad Hakimi, Teimoor Morovati, Monireh Falsafi, Soraya Moradi Fili
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
(2017)
Article
Chemistry, Physical
Hamid Rajabi, Negin Ghaemi, Sayed S. Madaeni, Parisa Daraei, Mohammad Ali Khadivi, Monir Falsafi
APPLIED SURFACE SCIENCE
(2014)
Article
Spectroscopy
Nahid Shahabadi, Monireh Falsafi
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2014)
Article
Pharmacology & Pharmacy
Nahid Shahabadi, Alireza Akbari, Fatemeh Karampour, Monireh Falsafi
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2019)
Article
Environmental Sciences
S. S. Madaeni, M. Falsafi, N. Ghaemi, P. Daraei
Summary: Through biomimetic technique, the surface structure of nasturtium leaf was replicated on RO membrane, improving surface characteristics, enhancing hydrophilicity, and reducing fouling tendency. The replicated membranes exhibited higher pure water flux and flux recovery values, indicating lower fouling propensity.
ENVIRONMENTAL TECHNOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Nooshin Bijari, Monireh Falsafi, Khadijeh Pouraghajan, Reza Khodarahmi
Summary: An efficient procedure was developed to purify human carbonic anhydrase II enzyme using functionalized magnetic nanoparticles, showing high purity and activity after purification. The nanoparticles may have a significant impact in cancer treatment and could potentially be used clinically in the near future.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Fahimeh Kheirdoosh, Soheila Kashanian, Mohammad Mehdi Khodaei, Mahya Sariaslani, Monireh Falsafi, Neda Hosseinpour Moghadam, Sadegh Salehzadeh, Mahsa Pazhavand, Mahdi Kashanian
Summary: This study investigated the binding of the artificial sweetener aspartame with human serum albumin at physiological pH. The results showed that the binding interaction is static quenching with a binding constant of 1.42 x 10(+4) M-1 at 298 K, and it is enthalpically driven. Molecular docking studies confirmed that aspartame binds strongly to site I of HSA mainly through hydrophobic and hydrogen bond interactions.
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
(2021)
Review
Materials Science, Biomaterials
Monireh Falsafi, Amir Sh Saljooghi, Khalil Abnous, Seyed Mohammad Taghdisi, Mohammad Ramezani, Mona Alibolandi
Summary: Metal-organic frameworks (MOFs) are hybrid porous materials widely used in drug delivery systems, offering high loading capability and biocompatibility for cancer treatment. The latest research focuses on smart MOFs as drug delivery systems for cancer treatment and diagnosis, with different synthesis methods and strategies providing solutions for various drug release mechanisms.
BIOMATERIALS SCIENCE
(2021)
Article
Engineering, Chemical
Negin Ghaemi, Farzaneh Darabi, Monireh Falsafi
MEMBRANE AND WATER TREATMENT
(2019)