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A Comprehensive Review on Exploring the Potential of Phytochemicals and Biogenic Nanoparticles for the Treatment of Antimicrobial-Resistant Pathogenic Bacteria.
Curr Microbiol
January 2025
Molecular Biology Laboratory, Department of Microbiology, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, 630003, India.
Antimicrobial resistance (AMR) is an escalating global health concern that results in approximately 700,000 deaths annually owing to drug-resistant infections. It compromises the effectiveness of conventional antibiotics, as well as fundamental medical procedures, such as surgery and cancer treatment. Phytochemicals, natural plant constituents, and biogenic nanoparticles synthesized through biological processes are pharmacological alternatives for supplementing or replacing traditional antibiotics.
View Article and Find Full Text PDFEffect of Exact Exchange on the Energy Landscape in Self-Consistent Field Theory.
J Chem Theory Comput
January 2025
Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
Density functional approximations can reduce the spin symmetry breaking observed for self-consistent field (SCF) solutions compared to Hartree-Fock theory, but the amount of exact Hartree-Fock (HF) exchange appears to be a key determinant in broken symmetry. To elucidate the precise role of exact exchange, we investigate the energy landscape of unrestricted Hartree-Fock and Kohn-Sham density functional theory for benzene and square cyclobutadiene, which provide paradigmatic examples of closed-shell and open-shell electronic structures, respectively. We find that increasing the amount of exact exchange leads to more local SCF minima, which can be characterized as combinatorial arrangements of unpaired electrons in the carbon π system.
View Article and Find Full Text PDFPancreatic cancer cell-intrinsic transglutaminase-2 promotes T cell suppression through microtubule-dependent secretion of immunosuppressive cytokines.
J Immunother Cancer
January 2025
Internal Medicine I, Ulm University Hospital, Ulm, Germany
Background: Pancreatic ductal adenocarcinoma (PDAC) is mostly refractory to immunotherapy due to immunosuppression in the tumor microenvironment and cancer cell-intrinsic T cell tolerance mechanisms. PDAC is described as a "cold" tumor type with poor infiltration by T cells and factors leading to intratumoral T cell suppression have thus received less attention. Here, we identify a cancer cell-intrinsic mechanism that contributes to a T cell-resistant phenotype and describes potential combinatorial therapy.
View Article and Find Full Text PDFMolecular Dynamics of Adenomatous Polyposis Coli (APC) Protein and Its Inhibitors: A Special Insight to Colorectal Cancer.
Crit Rev Oncog
January 2025
National Institute of Pharmaceutical Education and Research, Ahmedabad, Gujarat, India -382055, Gujarat, India.
Colorectal cancer (CRC) initiates in colon or rectum is named as colon or rectal cancer, based on the site of inception. Various genetic alterations responsible for CRC include several signaling pathways. The Wingless/Wnt signaling pathway is the vital pathway which involved in the cancer pathogenesis.
View Article and Find Full Text PDFInteraction of Heat Shock Protein 90 (HSP90), Ganetespib, and 5-Fluorouracil by Computational Approach for Colorectal Cancer Therapy.
Crit Rev Oncog
January 2025
Department of Biotechnology, Dr. B.R. Ambedkar University, Srikakulam 532410, Andhra Pradesh, India.
The heat shock protein 90 kDa (HSP90) is highly conserved across diverse species, including humans, and upregulated in various cancers. As a result, it has been identified as a promising target for advancing anticancer medicine. The introduction of combinatorial chemistry in drug discovery has emphasized the need to develop new technologies in screening, designing, decoding, synthesizing, and screening combinatorial drug libraries.
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