Article
Chemistry, Physical
S. Hanaa Mohamed, E. Mogedda Haiba, A. Neama Mohamed, E. A. Ghada Awad, S. Nesreen Ahmed
Summary: In this study, new tetrahydronaphthalene-sulfonamide derivatives with potent antimicrobial activities were successfully prepared. Compound 2 showed low activity towards tested pathogens, but could be easily modified into highly active sulfonamide products or moderately active compounds. Promising candidates 5d and 5e exhibited marked safety profile towards human normal cells. QSAR study for the new compounds was compatible with the antimicrobial results.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Review
Biochemistry & Molecular Biology
Irina Fierascu, Radu Claudiu Fierascu, Camelia Ungureanu, Oana Alexandra Draghiceanu, Liliana Cristina Soare
Summary: The article summarizes the application of ferns in nanotechnology and related areas, highlighting the development trends in phytosynthesized nanomaterials and their significance in healthcare.
Article
Microbiology
Sanjay V. V. Menghani, Yamil Sanchez-Rosario, Chansorena Pok, Renshuai Liu, Feng Gao, Henrik O'Brien, Miranda J. J. Neubert, Klariza Ochoa, Meredythe Durckel, Riley D. D. Hellinger, Nadia Hackett, Wei Wang, Michael D. L. Johnson
Summary: Despite the availability of vaccines against several strains of Streptococcus pneumoniae, the rise of antimicrobial resistance and emergence of uncovered strains necessitates the development of new antimicrobial strategies. N,N-dimethyldithiocarbamate (DMDC) has been identified as a potent copper-dependent antimicrobial against various pathogens, including S. pneumoniae. Derivatives of DMDC, particularly Compound 3, show promise as effective antibiotics against relevant streptococcal pathogens, reducing bacterial burden in an in vivo murine pneumonia model.
FRONTIERS IN MICROBIOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Deweshri Nandurkar, Sunil Menghani, Kishor Danao, Vijayshri Rokde, Nilesh Rarokar, Pramod Khedekar, Supriya Mana
Summary: A series of compounds were synthesized and characterized, showing significant antimicrobial properties against various pathogenic bacteria and fungi. Some compounds exhibited remarkable activity against Gram-negative and Gram-positive bacteria. Moderate to outstanding antibacterial activity was observed against E. coli, P. aeruginosa, S. aureus, and B. subtilis. Moderate to excellent antifungal activity was observed against Candida tropicalis and Candida glabrata. Compounds 25 and 34 showed the highest activity against both Gram-positive and Gram-negative bacteria. Compound 35 exhibited comparable antifungal activity to the standard drug. Molecular docking and QSAR analysis suggested that these compounds could be further explored as potential antimicrobial drugs.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Engineering, Electrical & Electronic
Marijan Beg, Martin Lang, Hans Fangohr
Summary: Computational micromagnetics is an important tool in academia and industry, and Ubermag provides a human-centered research environment for controlling micromagnetic simulation packages and performing complete simulation workflows and data analysis within a notebook environment.
IEEE TRANSACTIONS ON MAGNETICS
(2022)
Article
Chemistry, Medicinal
Hongxia Li, Jiayong Liu, Chuan-Fa Liu, Haizhou Li, Jiachun Luo, Shanfang Fang, Yongzhi Chen, Rongcui Zhong, Shouping Liu, Shuimu Lin
Summary: This study designed and synthesized a series of new membrane-active bakuchiol derivatives, with compound 28 showing potent antibacterial activity against various bacteria and strong in vivo antibacterial efficacy in murine corneal infection models. This design strategy is expected to provide an effective solution to the antibiotic crisis.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Eman O. Hamed, Doaa A. Elsayed, Mohamed G. Assy, Wesam S. Shehab
Summary: The study synthesized a potential anticancer compound that exhibited strong cytotoxicity against tumor cells, as well as showed antioxidant, antimicrobial, and antifungal activities, with good results in fluorescence properties as an analytical application.
Article
Chemistry, Physical
M. E. Belghiti, F. Benhiba, N. Benzbiria, Chin-Hung Lai, S. Echihi, M. Salah, A. Zeroual, Y. Karzazi, A. Tounsi, K. Abbiche, S. Belaaouad, H. Elalaoui-Elabdallaoui, Y. Naimi
Summary: Four Trizaoles were investigated as corrosion inhibitors on mild steel in strong H3PO4 medium, and their inhibition activities were evaluated by weight loss measurements. The results showed that TR3 exhibited the highest inhibition activity, and the hydration energy was found to be a valuable descriptor for inspecting the inhibition performance of organic compounds.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Zuzana Osifova, Michal Sala, Martin Dracinsky
Summary: Hydrogen bonding is a crucial noncovalent interaction for life, and this study investigates the intermolecular interactions of 8-substituted purine derivatives with their hydrogen-bonding partners. The stability of hydrogen-bonded complexes depends on the number of intermolecular H-bonds and their donor-acceptor alternation, with no strong preferences for a particular geometry.
Article
Chemistry, Medicinal
Abdulraheem S. A. Almalki, Syed Nazreen, Azizah M. Malebari, Nada M. Ali, Ahmed A. Elhenawy, Abdullah A. A. Alghamdi, Abrar Ahmad, Sulaiman Y. M. Alfaifi, Meshari A. Alsharif, Mohammad Mahboob Alam
Summary: The newly synthesized 1,2,3-triazole-incorporated thymol-1,3,4-oxadiazole derivatives exhibit promising anticancer and antimicrobial activities, with compound 9 showing significant effects against multiple cell lines.
Article
Biochemistry & Molecular Biology
Abdelmoujoud Faris, Ibrahim M. M. Ibrahim, Omkulthom Al Kamaly, Asmaa Saleh, Menana Elhallaoui
Summary: In this study, the 3D-QSAR approach was used to predict new JAK3 inhibitors for the treatment of RA. Two reliable models were developed, which successfully identified groups that may directly interact with JAK3. Through ADMET analysis and covalent docking, five promising inhibitors were selected for further study. These newly predicted molecules show strong binding affinity, stability, and favorable pharmaceutical properties, making them promising candidates for JAK3 inhibitors in the treatment of RA.
Article
Biochemistry & Molecular Biology
Sahar Soror, Asmaa M. Fahim, Samia Elabbady, Ekhlass Nassar, Asmaa Aboelnaga
Summary: A new method for the multi-step synthesis reaction was studied, and the characterization of the synthetic products and evaluation of antimicrobial activity were carried out. The experimental results showed that these compounds have potential antimicrobial activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Review
Biochemistry & Molecular Biology
Deeksha Tiwari, Rakesh Narang, Kalvatala Sudhakar, Vikramjeet Singh, Sukhbir Lal, Manish Devgun
Summary: This review details the therapeutic targets and mode of interaction of 1,3,4-oxadiazole derivatives as antimicrobial agents, and summarizes the effect of different moieties and functional groups on their antimicrobial activity.
CHEMICAL BIOLOGY & DRUG DESIGN
(2022)
Article
Chemistry, Physical
Nagarajan Nagasundaram, Kannayiram Padmasree, Sigamani Santhosh, Nangagoundan Vinoth, Nagarajan Sedhu, Appaswami Lalitha
Summary: A library of new azo fused dihydropyrano[2,3-c]pyrazole derivatives were synthesized via a catalyst-free, ultrasound irradiation approach. The synthesized compounds showed good binding affinity towards E. coli MurB and EGFR domains, and exhibited potential antimicrobial and anticancer activities.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Luis Calle, Yovani Marrero-Ponce, Jose R. Mora
Summary: The study evaluated the selenoenzyme glutathione peroxidase-like activity of stable organoselenium compounds using QSAR analysis and machine learning. Three predictive models were obtained with good statistical parameters, and two potential lead compounds were identified for further research in candidates with GPx-like activity.
MOLECULAR SIMULATION
(2021)
Article
Engineering, Chemical
Catalin Buiu, Vlad-Rares Danaila, Cristina Nicoleta Raduta
Article
Medicine, General & Internal
Laura Cotoi, Florin Borcan, Ioan Sporea, Daniela Amzar, Oana Schiller, Adalbert Schiller, Cristina A. Dehelean, Gheorghe Nicusor Pop, Andreea Borlea, Dana Stoian
Article
Medicine, General & Internal
Andreea Borlea, Florin Borcan, Ioan Sporea, Cristina Adriana Dehelean, Romeo Negrea, Laura Cotoi, Dana Stoian
Article
Pharmacology & Pharmacy
Aurica Elisabeta Moatar, Cristian Sebastian Vlad, Daliborca Cristina Vlad, Doina Mioara Verdes, Marioara Nicoleta Filimon, Octavian Bloju, Florin Borcan, Cristina Adriana Dehelean, Victor Dumitrascu
Article
Chemistry, Multidisciplinary
Florin Borcan, Adel Len, Diana A. Bordejevic, Zoltan Dudas, Mirela C. Tomescu, Adina N. Valeanu
FRONTIERS IN CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Ivana Eremici, Catalin Dumitru, Dan Navolan, Marius Craina, Viviana Ivan, Florin Borcan, Cristina Adriana Dehelean, Ioana Mozos, Dana Stoian
APPLIED SCIENCES-BASEL
(2020)
Article
Biochemistry & Molecular Biology
Vlad Tiberiu Alexa, Camelia Szuhanek, Antoanela Cozma, Atena Galuscan, Florin Borcan, Diana Obistioiu, Cristina Adriana Dehelean, Daniela Jumanca
Article
Biochemistry & Molecular Biology
Alin Faur, Claudia Watz, Elena-Alina Moaca, Stefana Avram, Florin Borcan, Iulia Pinzaru, Andrada Iftode, Mirela Nicolov, Ramona Amina Popovici, Marius Raica, Camelia A. Szuhanek, Cristina Dehelean
Article
Chemistry, Multidisciplinary
Florin Borcan, Adel Len, Cristina A. Dehelean, Zoltan Dudas, Roxana Ghiulai, Andrada Iftode, Roxana Racoviceanu, Codruta M. Soica
Summary: The study synthesized and evaluated new polyurethane nanoparticles as transmembrane carriers for acyclovir, demonstrating high encapsulation efficacy and low irritability, suitable for delayed drug release in a drug delivery system.
Article
Medicine, General & Internal
Cristina Mihaela Cepeha, Corina Paul, Andreea Borlea, Renata Fofiu, Florin Borcan, Cristina Adriana Dehelean, Viviana Ivan, Dana Stoian
Summary: This study aimed to assess the use of SWE in detecting children with CAT and found that the thyroid stiffness values in children with CAT were significantly different from both healthy controls and adults with CAT. SWE elastography appears to be a promising technique for evaluating pediatric patients with autoimmune thyroid pathology.
Article
Biochemistry & Molecular Biology
Ramona Daniela Parvanescu (Pana), Claudia-Geanina Watz, Elena-Alina Moaca, Lavinia Vlaia, Iasmina Marcovici, Ioana Gabriela Macasoi, Florin Borcan, Ioana Olariu, Georgeta Coneac, George-Andrei Draghici, Zorin Crainiceanu, Daniela Flondor (Ionescu), Alexandra Enache, Cristina Adriana Dehelean
Summary: The study found that oleogel formulations based on betulin and lupeol have potential advantages in treating skin injuries, as they can increase skin hydration and reduce erythema. In addition, both in vitro and in vivo studies demonstrated good biocompatibility of these synthesized oleogels and their role in promoting wound healing.
Article
Medicine, General & Internal
Mirela Nicolov, Mioara Cocora, Valentina Buda, Corina Danciu, Adina Octavia Duse, Claudia Watz, Florin Borcan
Summary: The study analyzed the correlation between the physico-chemical properties of vitamins and their potential toxicological impact, finding that certain hydrosoluble vitamins may exert toxicity at high doses or prolonged ingestion. It also highlighted the complexity of liposoluble vitamins compared to therapeutically-proven compounds.
MEDICINA-LITHUANIA
(2021)
Article
Medicine, General & Internal
Cristina Mihaela Cepeha, Corina Paul, Andreea Borlea, Florin Borcan, Renata Fofiu, Cristina Adriana Dehelean, Dana Stoian
Article
Biochemistry & Molecular Biology
Roxana Racoviceanu, Cristina Trandafirescu, Mirela Voicu, Roxana Ghiulai, Florin Borcan, Cristina Dehelean, Claudia Watz, Zoltan Aigner, Rita Ambrus, Dorina Elena Coricovac, Denisa Circioban, Alexandra Mioc, Camelia Alexandrina Szuhanek, Codruta Soica
Article
Clinical Neurology
Gabriela Radu, Constantin Luca, Lucian Petrescu, Diana Aurora Bordejevic, Tomescu Cleopatra Mirela, Minodora Andor, Ioana Citu, Adelina Mavrea, Valentina Buda, Catalin Tomescu, Florin Borcan, Liana Dehelean
NEUROPSYCHIATRIC DISEASE AND TREATMENT
(2020)