Article
Pharmacology & Pharmacy
Saraswati Patel, Jyoti Shukla, Smita Jain, Vartika Paliwal, Neetika Tripathi, Sarvesh Paliwal, Swapnil Sharma
Summary: This study evaluates the analgesic and anti-inflammatory activity of Tubocurarine (d-TC) and suggests its repositioning in the treatment of pain and inflammation-related issues. The results showed significant inhibitory effects of d-TC on pain and inflammation in both in vitro and in vivo models, as well as good oral absorption capability.
BIOCHEMICAL PHARMACOLOGY
(2022)
Article
Multidisciplinary Sciences
Hassan A. Khatab, Sherif F. Hammad, Esmail M. El-Fakharany, Ahmed I. Hashem, Eman A. E. El-Helw
Summary: This study aimed to develop hybrid antitumor compounds by synthesizing and characterizing novel N-substituted acrididine-1,8-dione derivatives, designed as hybrids of phthalimide and acridine-1,8-diones. Compound 8f showed promising activity against skin and lung cancers, and molecular docking studies revealed its potential as a targeted anticancer therapy. This research indicates the potential of N-substituted acrididine-1,8-dione derivatives as novel antitumor agents with a dual mechanism of action.
SCIENTIFIC REPORTS
(2023)
Article
Biochemistry & Molecular Biology
Walid Guerrab, Meryem El Jemli, Jihane Akachar, Gunes Demirtas, Joel T. Mague, Jamal Taoufik, Azeddine Ibrahimi, M'Hammed Ansar, Katim Alaoui, Youssef Ramli
Summary: The study reports the synthesis and molecular characterization of a novel phenytoin derivative, involving DFT calculation, crystal structure analysis with Hirshfeld surface, psychotropic activity evaluation, and molecular modeling for potential neurotherapeutic drug development.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Multidisciplinary
Adinath Tambe, Anil Gadhave, Akshay Pathare, Gopinath Shirole
Summary: In this study, a new heterogeneous catalyst pumice supported sulfonic acid (pumice@SO3H) was prepared and shown to be stable and possess good Brunsted acidic character. The catalyst showed efficient performance under microwave assistance for the synthesis of 2,4,5-triaryl imidazoles and acridine-1,8-diones, with features such as recyclability, solvent-free approach, and applicability to a wide range of substrates. The use of pumice@SO3H with MW has enhanced the green chemistry value of the method.
SUSTAINABLE CHEMISTRY AND PHARMACY
(2021)
Article
Biology
Mikael A. de Souza, Luis Pereira-de-Morais, Zildene de S. Silveira, Nair S. Macedo, Isaac M. Araujo, Luiz J. de L. Neto, Gyllyandeson de A. Delmondes, Roger H. S. da Costa, Ligia C. C. de Oliveira, Henrique D. M. Coutinho, Roseli Barbosa, Helcio S. dos Santos, Francisco Assis Bezerra da Cunha
Summary: This study aimed to evaluate the toxic action of methyl eugenol against Drosophila melanogaster and its myorelaxant effect on bronchioles from domestic swine. The results demonstrated insecticidal and myorelaxant properties of methyl eugenol, laying a foundation for further research in this area.
Article
Multidisciplinary Sciences
Dian Ding, Jing-Xiang Wu, Xinli Duan, Songling Ma, Lipeng Lai, Lei Chen
Summary: ATP-sensitive potassium channels (K-ATP) composed of Kir6 and SUR subunits convert the metabolic status of the cell into electrical signals. The authors present cryo-EM structures of SUR2A and SUR2B subunits in complex with two vasodilators, P1075 and levcromakalim, uncovering the mechanisms of these drugs.
NATURE COMMUNICATIONS
(2022)
Article
Dermatology
Krzysztof Bojanowski, Pedro Corona, Stephanie Ma, Hui Zhao
Summary: The study tested the hypothesis of using an intraoral application of a biodegradable slow release formulation to improve facial appearance. The results demonstrated that this method effectively improved smile lines and inhibited metalloproteinase levels, potentially providing benefits for both skin and oral health.
JOURNAL OF COSMETIC DERMATOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Sachin Kumar, Vijay K. Bhardwaj, Rahul Singh, Pralay Das, Rituraj Purohit
Summary: This study discovered a compound that can efficiently bind to the DENV-2 C protein through virtual ligand screening. Molecular docking and dynamics simulations revealed strong interactions between the compound and DENV-2 C protein. The findings suggest that this compound could be a potential therapeutic molecule for treating dengue complications.
JOURNAL OF CELLULAR BIOCHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Rajesh Raju, Raghavachary Raghunathan, Natarajan Arumugam, Abdulrahman I. Almansour, Raju Suresh Kumar, P. A. Vivekanand, Cheriyan Ebenezer, Rajadurai Vijay Solomon, Karthikeyan Perumal
Summary: A new class of acridinedione embedded spirooxindolo/acenaphthenothiopyrrolizidines and spirooxindolo/acenathenoindolizidines were efficiently synthesized in good to excellent yields using an ionic liquid accelerated one-pot [3 + 2]-cycloaddition strategy. The starting substrates, O-acryloyl acridinediones, were prepared from dimedone in three steps, while the 1,3-dipole was derived in situ from isatin/acenaphthenequinone and thiazolidine-4-carboxylc acid/l-pipecolinic acid via decarboxylative condensation. The synthesized compounds possess three stereogenic carbons, including a spiro carbon, and show potential as inhibitors for the main protease of COVID-19, as demonstrated by molecular docking analysis.
GREEN PROCESSING AND SYNTHESIS
(2023)
Article
Chemistry, Multidisciplinary
Sangeetha Murugan Sreedevi, Seba Merin Vinod, Anju Krishnan, Tamizhdurai Perumal, Fatmah Ali Alasmary, Norah Salem Alsaiari, Mani Govindasamy, Kumaran Rajendran
Summary: Molecular docking studies were conducted to investigate the binding stability and feasibility of resorcinol-based acridinedione dyes (ADR1 and ADR2) with a globular protein, Human Serum Albumin (HSA). The results showed that ADR2 dye had a more stable and feasible binding with HSA compared to ADR1 dye. ADR1 dye predominantly bound to site I and III of HSA and acted as a hydrogen bonding acceptor, while ADR2 dye bound to all binding sites and acted as a hydrogen bonding donor. The importance of drug-governance on the binding affinity of dye-protein complex was also studied. Site I binding drugs decreased the binding affinity of ADR1 dye-HSA complex, while site II binding drugs predominantly decreased the affinity of ADR2 dye-HSA complex. The study highlights the utility of molecular docking in understanding the stability and binding of host-guest complexes. Rating: 8 out of 10.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Sabir Ouahhoud, Mohamed Marghich, Hanane Makrane, Ahmed Karim, Amine Khoulati, Samira Mamri, Mohamed Addi, Christophe Hano, Redouane Benabbes, Mohammed Aziz, Abdeslam Asehraou, Ennouamane Saalaoui
Summary: The study evaluated the myorelaxant and antispasmodic activities of the byproducts (tepals and leaves) of Crocus sativus and compared them with the stigma of the plant. The results showed that the extracts had moderate myorelaxant and inhibitory effects on contractions, suggesting potential use in treating bowel spasms.
JOURNAL OF FOOD BIOCHEMISTRY
(2023)
Article
Biology
Vijay Kumar Bhardwaj, Rahul Singh, Pralay Das, Rituraj Purohit
Summary: The study identified DSPD-2, DSPD-6, and DSPD-5 as potential inhibitors of SARS-CoV-2 by efficiently binding to the S1 subsite of Mpro. Targeting molecules to bind effectively to the S1 subsite could potentially improve the binding of molecules to SARS-CoV-2 Mpro, suggesting a new approach for developing antiviral drugs.
COMPUTERS IN BIOLOGY AND MEDICINE
(2021)
Article
Chemistry, Multidisciplinary
Sumita Anupurath, Vasanthi Rajaraman, Shoba Gunasekaran, Anju Krishnan, Sangeetha Murugan Sreedevi, Seba Merin Vinod, Balakumaran Manickam Dakshinamoorthi, Kumaran Rajendran
Summary: The study revealed the significant impact of amino acid addition on the oxidation-reduction potential of PET and non-PET dyes, with a more pronounced effect observed when valine is added. Molecular docking studies showed that the addition of amino acids is not mainly influenced by hydrophobic or electrostatic interactions, but rather by the formation of conventional hydrogen bonds.
Article
Chemistry, Organic
Masumeh Gilanizadeh, Behzad Zeynizadeh
Summary: An efficient green method using Fe3O4@SiO2@Ni-Zn-Fe layered double hydroxide was developed for the multi-component Hantzsch reaction. The nanocatalyst, with magnetism properties and the ability to be easily separated from the reaction mixture, showed excellent performance for the cascade synthesis of acridinediones and biscoumarins. Significant advantages include mild reaction conditions, short reaction times, absence of hazardous organic solvents, and the ability to recycle the nanocatalyst.
POLYCYCLIC AROMATIC COMPOUNDS
(2021)
Article
Biochemistry & Molecular Biology
Luiz Jardelino de Lacerda Neto, Andreza Guedes Barbosa Ramos, Renata Evaristo Rodrigues da Silva, Luis Pereira-de-Morais, Fernanda Maria Silva, Roger Henrique Sousa da Costa, Lindaiane Bezerra Rodrigues Dantas, Jose Galberto Martins da Costa, Henrique Douglas Melo Coutinho, Grazyna Kowalska, Joanna Hawlena, Radoslaw Kowalski, Roseli Barbosa, Francisco Assis Bezerra da Cunha
Summary: Alternative methods for the use of animals in research have become increasingly important, with the 3R principle guiding research towards in vitro and ex vivo methods. This study aimed to evaluate the myorelaxant effect of Dysphania ambrosioides essential oil on swine coronary arteries and its toxicity on Drosophila melanogaster. Results showed that the essential oil had a relaxing effect on the swine coronary arteries but was toxic to Drosophila.
Review
Chemistry, Medicinal
Busra Unlu, Rahime Simsek, Selinay Basak Erdemli Kose, Anil Yirun, Pinar Erkekoglu
Summary: Severe Acute Respiratory Syndrome (SARS) is caused by different SARS viruses. In 2020, the novel coronavirus (SARS-CoV-2) led to the ongoing pandemic known as Coronavirus Disease 2019 (COVID-19). The disease can spread through direct or indirect contact and has rapidly affected the entire world. While there are similarities between SARS-CoV-2 and other SARS viruses, there are also neurologic signs observed in some COVID-19 cases and neurotoxic effects from drugs used in treatment. Approved vaccines are available, but specific therapeutics are still needed for COVID-19.
MINI-REVIEWS IN MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Perihan Gurbuz, Sengul Dilem Dogan, Miyase Gozde Gunduz, Kubra Uzun, Ebru Uzunhisarcikli, Mukerrem Betul Yerer
Summary: The cytotoxic potential of Jurinea macrocephala DC. on lung cancer and breast cancer cell lines was evaluated. The study identified twelve compounds, including triterpenes and flavonoids. Molecular docking studies revealed that flavonoids without sugar moieties showed the best binding affinities and were considered potential oral drug candidates.
CHEMISTRY & BIODIVERSITY
(2022)
Article
Biochemistry & Molecular Biology
M. Ihsan Han, Ufuk Ince, Miyase Gozde Gunduz, S. Guniz Kucckguzel
Summary: The discovery of new antimicrobial molecules is crucial for combating drug-resistant infections. In this research, thiosemicarbazide-triazole derivatives were synthesized and screened for their antimicrobial activities. The compounds showed moderate antimicrobial effects, with 7j demonstrating the best antibacterial activity against a Staphylococcus aureus isolate.
CHEMISTRY & BIODIVERSITY
(2022)
Article
Chemistry, Physical
Miyase Gozde Gunduz, Cagatay Dengiz, Ebru Kocak Aslan, Sanja Skaro Bogojevic, Jasmina Nikodinovic-Runic
Summary: In this study, three novel compounds were designed by combining 1,4-dihydropyridine (DHP) and azole scaffolds. Computational methods were used to investigate the effects of different azole rings on optical and non-linear optical properties. Molecular docking studies were performed to explain biological results and suggest molecular modifications for improved antifungal effects.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Meeting Abstract
Biochemistry & Molecular Biology
Oluwafemi E. Kale, Miyase G. Gunduz, Olufunsho Awodele, Olubunmi Osonuga, Martins Ekor
Article
Chemistry, Physical
Ebru Kocak Aslan, Vagolu Siva Krishna, Sanja J. Armakovic, Stevan Armakovic, Onur Sahin, Tone Tonjum, Miyase Gozde Gunduz
Summary: The emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb) has complicated efforts to eliminate tuberculosis. Developing new antitubercular drugs is crucial in addressing this challenge. Researchers used molecular hybridization to link the frontline drug isoniazid (INH) with various azole rings. These compounds showed excellent antimycobacterial activity and low cytotoxicity.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
M. Ihsan Han, Cagatay Dengiz, Sengul Diem Dogan, Miyase Gozde Gunduz, Semiha Kopru, Ceren Ozkul
Summary: In this study, hybrid compounds combining isoquinolinedione and urea pharmacophores were successfully synthesized and evaluated for antibacterial activities. The compounds with lipophilic halogen substituents showed better activities against Gram-positive bacteria, a trend further supported by molecular docking studies. Density functional theory analysis provided insights into the structural properties and stabilities of the selected active compounds.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Medicinal
Ruveyde Keles Atici, Sengul Dilem Dogan, Miyase Gozde Gunduz, Vagolu Siva Krishna, Melina Chebaiki, Havard Homberset, Christian Lherbet, Lionel Mourey, Tone Tonjum
Summary: The emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb) has hindered efforts to combat tuberculosis. Researchers have synthesized 16 compounds using molecular hybridization and evaluated their antimycobacterial activity and cytotoxicity. Three derivatives showed promising activity against both drug-resistant and susceptible strains of Mtb.
DRUG DEVELOPMENT RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Sevil Senkardes, Didem Kart, Bilge Bebek, Miyase Gozde Gunduz, S. Guniz Kucukguzel
Summary: In this study, hydrazide-hydrazone and 4-thiazolidinone derivatives were synthesized and evaluated for their antimicrobial activity. Some compounds showed significant antimicrobial properties against E. coli and could potentially be developed as antimicrobial drug candidates. Molecular docking investigations revealed the potential antibacterial mechanism of one compound against E. coli.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Multidisciplinary
M. Ihsan Han, Miyase Gozde Gunduz, Gokce Alci, Simone Giovannuzzi, Donay Yuvali, Claudiu T. Supuran, Sengul Dilem Dogan
Summary: Novel carbonic anhydrase (CA, EC 4.2.1.1) inhibitors were synthesized by linking sulfonate esters to a benzenesulfonamide fragment via hydrazone functionality. These inhibitors showed inhibitory activity against tumor-associated human (h) isoforms hCA IX and XII, and the dominant hCA I and II isoforms. Substituents of methyl, methoxy or chlorine in the para position of the terminal phenyl ring enhanced the inhibitory activity against hCA IX and/or hCA XII with K-i values < 10 nM. Computational techniques were used to predict drug-likeness and pharmacokinetic profiles of the selected compounds. Molecular docking studies were conducted to rationalize the inhibition data of the most effective inhibitor, 4-((2-(4-sulfamoylbenzoyl)hydrazono)methyl)phenyl 4-methoxybenzenesulfonate (SH3), against tumor-associated hCA isoforms IX (K-i = 9.4 nM) and XII (K-i = 5.9 nM).
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Beyza Celik, Suemeyye Buran Ugur, Muenevver Baran, Miyase Gozde Gunduz, Selbi Keskin, Gozde Ozge Onder, Nazmiye Bitgen, Serdal Kaya, Senguel Dilem Dogan
Summary: In this article, the synthesis and cytotoxicity evaluation of a series of indole-carrying semicarbazide derivatives (IS1-IS15) were reported. The compounds showed preferential substituents for antiproliferative activity against human breast cancer cell lines. Further analysis revealed the potential activity mechanism and drug-likeness of the selected compounds, providing valuable insights for anticancer drug development.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Biochemistry & Molecular Biology
Sevil Senkardes, Irem Atlihan, Elif Cayir, Pinar Mega Tiber, Oya Orun, Seyma Nigiz, Ceren Ozkul, Miyase Gozde Gunduz, S. Guniz Kucukguzel
Summary: A series of hydrazone derivatives were synthesized from metacetamol, and their structures were characterized using various spectroscopic methods. These derivatives showed moderate to potent anticancer activity against breast cancer cell lines MDA-MB-231 and MCF-7. Compound 3 e exhibited the most effective anticancer activity with an IC50 value of 9.89 μM against MDA-MB-231 cells. It also demonstrated significant antifungal activity against Candida krusei, indicating its potential for further drug development.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Pharmacology & Pharmacy
Esra Pezik, Tugba Gulsun, Miyase Gozde Gunduz, Selma Sahin, Naile Ozturk, Imran Vural
Summary: This study aims to improve the solubility and oral bioavailability of M3, a potential antihypertensive drug candidate, using nanocrystal technology. The optimum nanosuspension formulation was freeze-dried with 5.0% trehalose, resulting in nanocrystals with a size of 320.2 ± 15.3 nm and a zeta potential of -27.4 ± 0.1 mV. Compared to coarse M3 powder, freeze-dried M3 nanocrystals showed a significant increase in solubility and permeability. Cell culture studies demonstrated the lack of significant toxicity of M3 and its potential for oral administration.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Sengul Dilem Dogan, Esma Ozcan, Yasin Cetinkaya, Muhammed Ihsan Han, Onur Sahin, Sanja Skaro Bogojevic, Jasmina Nikodinovic-Runic, Miyase Gozde Gunduz
Summary: In this study, a potential antimicrobial drug candidate, (E)-N'-((5-nitrofuran-2-yl)methylene)quinoline-8-sulfonohydrazide (QNF), was synthesized, characterized, and evaluated for its antibacterial and antifungal activity. The design of QNF was based on a molecular hybridization technique that connected two antimicrobial pharmacophores, quinoline and 5-nitrofuran rings, with a sulfonyl hydrazone moiety. The inhibitory effect of QNF on Candida albicans biofilm formation was further investigated, and its drug-like profile and physicochemical properties were confirmed through computational studies.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Esma Ozcan, Siva Krishna Vagolu, Miyase Gozde Gunduz, Milena Stevanovic, Zulbiye Kokbudak, Tone Tonjum, Jasmina Nikodinovic-Runic, Yasin Cetinkaya, Sengul Dilem Dogan
Summary: The discovery and development of new antimicrobial agents is crucial in tackling drug-resistant microbial pathogens. In this study, novel quinoline derivatives containing a thiosemicarbazide functionality were synthesized and evaluated for their antimicrobial activities. QST4, the most effective compound against Mycobacterium tuberculosis, was also found to inhibit the InhA enzyme. This research offers promising new options in the fight against drug resistance.
