Article
Pharmacology & Pharmacy
Boglarka Kantas, Eva Szoke, Rita Borzsei, Peter Banhegyi, Junaid Asghar, Lina Hudhud, Anita Steib, Agnes Hunyady, Adam Horvath, Angela Kecskes, Eva Borbely, Csaba Hetenyi, Gabor Petho, Erika Pinter, Zsuzsanna Helyes
Summary: The novel pyrrolo-pyrimidine molecules demonstrated potent SST4 receptor agonism without inducing beta-arrestin activation, showing promise as drug candidates for the treatment of neuropathic pain.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Samreen, Faizan Abul Qais, Iqbal Ahmad
Summary: Multiple drug resistance (MDR) in bacteria has become a global issue, leading to reduced efficacy of antibiotics and increased therapeutic failure. This study aimed to identify potential inhibitors for the efflux pump of AcrB protein in E. coli using molecular docking. Among the 19 screened phytocompounds, chlorogenic acid showed the highest binding affinity and may serve as a promising efflux pump inhibitor in combination therapy against E. coli.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biology
Kyriaki Savva, Margarita Zachariou, Demos Kynigopoulos, Eleni Fella, Maria-Ioanna Vitali, Xeni Kosofidou, Michail Spyrou, Irene Sargiannidou, Elena Panayiotou, Nikolas Dietis, George M. M. Spyrou
Summary: Alzheimer's disease (AD) is a common neurodegenerative disease with no effective disease modifying treatment. This study tested the effects of top candidate repurposed drugs proposed in previous research on AD in both in vitro and in vivo experiments. Two compounds (clomiphene citrate and Pik-90) showed significant inhibition against the BACE1 enzyme, while tetrabenazine (TBZ) did not produce significant effects in behavioral tests and A beta 40 immunoassay in AD mice. These findings suggest further investigation of clomiphene citrate and Pik-90 as potential treatment options for AD.
Article
Oncology
Yonggang Sha, Jian Wu, Barry Paul, Yue Zhao, Parker Mathews, Zhiguo Li, John Norris, Endi Wang, Donald P. McDonnell, Yubin Kang
Summary: This study reveals for the first time the transcriptional regulation of CRBN by PPAR and demonstrates that drug-drug interactions between PPAR agonists and lenalidomide may impact the treatment outcomes of multiple myeloma. High PPAR expression is correlated with poor clinical outcomes.
Article
Medicine, Research & Experimental
Niklas J. Koehl, Laura J. Henze, Harriet Bennett-Lenane, Waleed Faisal, Daniel J. Price, Rene Holm, Martin Kuentz, Brendan T. Griffin
Summary: The study found that adding precipitation inhibitors (PIs) to lipid-based formulations (LBF) to sustain supersaturation may not always be effective. While in vitro observations showed that supersaturated LBFs (sLBF) could improve the bioavailability of venetoclax, in vivo experiments revealed that adding PIs actually resulted in decreased bioavailability when compared to sLBF without PIs.
MOLECULAR PHARMACEUTICS
(2021)
Article
Microbiology
Tecla Ciociola, Walter Magliani, Tiziano De Simone, Thelma A. Pertinhez, Stefania Conti, Giorgio Cozza, Oriano Marin, Laura Giovati
Summary: This study conducted in silico analysis to identify novel antifungal candidates by studying antibody-derived peptides with recognized antifungal activity. The newly designed peptides proved to be more active and therapeutic in vitro against candidal infection, without causing toxic effects on mammalian cells. Circular dichroism spectroscopy showed different structural organization of the peptides, validating a consensus sequence that may be useful in the development of novel antimicrobial molecules.
Article
Biochemistry & Molecular Biology
Manal Y. Sameeh, Manal M. Khowdiary, Hisham S. Nassar, Mahmoud M. Abdelall, Hamada H. Amer, Abdelaaty Hamed, Ahmed A. Elhenawy
Summary: This study synthesized a new antihyperglycemic thiazolidinedione and investigated its interaction mechanism with receptors using experimental and computational methods. The results showed that the synthesized compounds had higher potency and could effectively regulate high blood lipid levels.
Article
Oncology
Dan Zou, Jin Bai, Enting Lu, Chunjiao Yang, Jiaqing Liu, Zhenpeng Wen, Xuqin Liu, Zi Jin, Mengdan Xu, Lei Jiang, Ye Zhang, Yi Zhang
Summary: This study identified differentially expressed genes of epithelial ovarian cancer (EOC) and predicted piperlongumine (PL) as a potential drug candidate through various analysis methods. PL inhibited cell proliferation and induced apoptosis in EOC cells by targeting the cell cycle, suggesting its potential as a novel drug candidate for EOC.
FRONTIERS IN ONCOLOGY
(2021)
Article
Pharmacology & Pharmacy
Laila Pereira Silva, Eliziaria Cardoso Santos, Bruno Arantes Borges, Marcia Paranho Veloso, Daniela Aparecida Chagas-Paula, Reggiani Vilela Goncalves, Romulo Dias Novaes
Summary: The study demonstrates that TAG-F can effectively reduce the production of inflammatory mediators and promote tissue healing in skin wounds, alleviating swelling and pain.
PHARMACOLOGICAL RESEARCH
(2021)
Article
Biochemistry & Molecular Biology
Praveen Rai, Hemant Arya, Satabdi Saha, Diwakar Kumar, Tarun Kumar Bhatt
Summary: Visceral leishmaniasis, caused by L. donovani, is a neglected tropical disease with a specific mechanism in mitochondria genome replication which is initiated by mitochondrial primase enzyme. Primase protein has been identified as a potential therapeutic target with Pioglitazone and Mupirocin showing promising anti-leishmanial effects that can be further explored in clinical trials.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Physical
Bilge Bicak, Yasemin Budama-Kilinc, Serda Kecel-Gunduz, Tolga Zorlud, Gizem Akman
Summary: This study aimed to design a peptide-based nano-drug using Tyrosyllysylthreonine (YKT) tripeptide, with a focus on enhancing efficacy and reducing adverse effects. Experimental characterization and in silico studies were conducted to investigate the potential application of YKT-loaded chitosan nanoparticles in cancer therapy, particularly for prostate cancer treatment.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Cristiana Correia, Abigail Ferreira, Joana Santos, Rui Lapa, Marjo Yliperttula, Arto Urtti, Nuno Vale
Summary: PK studies are important for dosing regimen design. Combination therapies may be more effective in cancer treatment. In this study, in silico models were used to predict the in vivo performance of drug combinations in cancer therapy, with itraconazole showing the most promising results in combination with reference anticancer drugs.
Article
Immunology
Julian Ernesto Nicolas Gulin, Margarita Maria Catalina Bisio, Daniela Rocco, Jaime Altcheh, Maria Elisa Solana, Facundo Garcia-Bournissen
Summary: This study evaluates the efficacy of Miltefosine (MLT) as a monodrug and combined with benznidazole (BZ) for treating Trypanosoma cruzi infection. MLT showed promising results in inhibiting the parasite in both in vitro and in vivo models, with improved efficacy when combined with BZ. This study provides support for the potential use of MLT in Chagas disease treatment and the exploration of combination therapies.
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY
(2022)
Article
Plant Sciences
Weiping Ji, Jiquan Shen, Bo Wang, Feifei Chen, Deru Meng, Shuanghu Wang, Dapeng Dai, Yunfang Zhou, Changxiong Wang, Quan Zhou
Summary: This study found that in rats, dacomitinib increases the AUC and T (max) of poziotinib, while decreasing its CL when orally administered. In vitro experiments showed that dacomitinib inhibits poziotinib in a mixed manner in CYP3A4 and CYP2D6. These findings suggest a potential drug-drug interaction between poziotinib and dacomitinib that clinicians should be aware of when readministering with poziotinib.
PHARMACEUTICAL BIOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Sukanya Dej-adisai, Nitinant Koyphokaisawan, Chatchai Wattanapiromsakul, Wanlapa Nuankaew, Tong Ho Kang, Thanet Pitakbut
Summary: This study reported for the first time the molecular anti-pigmentation mechanism of the selected Thai rejuvenating remedy by combining the results from in silico, in vitro, and in vivo experiments. The authors evaluated the anti-pigmentation effect at the molecular level and identified glabridin as a bioactive molecule against tyrosinase with promising activity.