Results 61 to 70 of about 37,292 (264)

Affinity‐Tuned Albumin Hitchhiking Extends the Bioorthogonal Capture Window in Pretargeting Radiotheranostics

Advanced Healthcare Materials, EarlyView.
Pharmacokinetic engineering of clickable radioligands was achieved via albumin hitchhiking approach within a pretargeted radiotheranostics delivery platform. This approach reduced rapid renal elimination, expanded bioorthogonal capture window, boosted tumor uptake by ∼3.5‐fold, and improved the tumor‐to‐liver ratio by ∼6‐fold.
Xie He, Nicholas L. Fletcher, Gayathri R. Ediriweera, Yifei Zhu, James Humphries, Christopher B. Howard, Jiazheng Wang, Craig A. Bell, Kristian Kempe, Kristofer J. Thurecht   +9 more
wiley   +1 more source

Profiling the Antidiabetic Potential of Compounds Identified from Fractionated Extracts of Entada africana toward Glucokinase Stimulation: Computational Insight

Molecules, 2023
Glucokinase plays an important role in regulating the blood glucose level and serves as an essential therapeutic target in type 2 diabetes management. Entada africana is a medicinal plant and highly rich source of bioactive ligands with the potency to ...
Sunday Amos Onikanni, Bashir Lawal, Valens Munyembaraga, Oluwafemi Shittu Bakare, Muhammad Taher, Junaidi Khotib, Deny Susanti, Babatunji Emmanuel Oyinloye, Lloyd Noriega, Ayodeji Famuti, Adewale Oluwaseun Fadaka, Basiru Olaitan Ajiboye   +11 more
doaj   +1 more source

Natural Products Inspired Scaffold Diversification Leads to Unnatural Molecular Warhead and Covalent Strategy to Modulating Protein Function through Electrophilic Bromine Transfer

Advanced Science, EarlyView.
We report a new thiolate‐reactive α,α‐gem‐dibromo lactam warhead that activates transcription factor Nrf2 and demonstrates anti‐inflammatory activities, which have implications in cancer, neurodegeneration, and cardiovascular diseases. RNA‐seq illuminated detailed transcriptional profiles, and chemical reactions with cysteine‐containing compounds ...
Beau R. Brummel, Sofia Kokkaliari, Qiwen Gao, Jinjing Chen, Larissa Costa de Almeida, Srinivasarao Tenneti, Derek A. Leas, Eli Levit, Lewis S. Alexander, Khalil A. Abboud, Pingrong Wei, Michael D. Cameron, James R. Rocca, Ranjala Ratnayake, Donna D. Zhang, Hendrik Luesch, Robert W. Huigens III   +16 more
wiley   +1 more source

Discovery of inhibitors against SARS-CoV-2 associated fungal coinfections via virtual screening, ADMET evaluation, PASS, molecular docking, dynamics and pharmacophore studies

Arab Journal of Basic and Applied Sciences, 2022
The black fungus is a SARS-CoV-2-associated fungal co-infection. Mechanisms by which antifungal drugs act against Mucormycosis are by inhibition of enzymes implicated in ergosterol biosynthesis or cell wall formation or the drug interaction directly with
Talia Serseg, Khedidja Benarous, Menaouar Serseg, Hafiz Muzzammel Rehman, Youness El Bakri, Souraya Goumri-Said   +5 more
doaj   +1 more source

Covalent Inhibition of SHMT2 by Gambogic Acid Induces Ferroptosis Through Mitochondrial Collapse in Triple‐Negative Breast Cancer

Advanced Science, EarlyView.
In this study, chemoproteomics combined with genetic and functional analyses was integrated to identify SHMT2 as a covalent and functional target of gambogic acid (GA) in triple‐negative breast cancer (TNBC). Further validation demonstrated that GA selectively modifies the Cys241 site of SHMT2, triggering mitochondrial dysfunction, activating the Nrf2 ...
Tong Yang, Chong Qiu, Yulei Li, Ying Zhang, Chen Wang, Jie Zhou, Zheng Chu, Ang Ma, Ling Huang, Yin Kwan Wong, Junzhe Zhang, Peng Gao, Cui Liu, Junhua Zhang, Huan Tang, Jigang Wang   +15 more
wiley   +1 more source

Knowledge-guided diffusion model for 3D ligand-pharmacophore mapping

Nature Communications
Pharmacophores are abstractions of essential chemical interaction patterns, holding an irreplaceable position in drug discovery. Despite the availability of many pharmacophore tools, the adoption of deep learning for pharmacophore-guided drug discovery ...
Jun-Lin Yu, Cong Zhou, Xiang-Li Ning, Jun Mou, Fan-Bo Meng, Jing-Wei Wu, Yi-Ting Chen, Biao-Dan Tang, Xiang-Gen Liu, Guo-Bo Li   +9 more
doaj   +1 more source

GPCRs Revisited: New Insights Lead to Novel Drugs

Pharmaceuticals, 2011
GPCRs play a critical role in human physiology and are a prime target for drug discovery globally. Novel insights into the functions of GPCRs are providing unique approaches to modulate these proteins to generate unique drug candidates.
Terry Reisine, Richard M. Eglen
doaj   +1 more source

A Computational Strategy for Identifying Self‐Assembling Food‐Derived Molecules for Antiparasitic Nanotherapy

Advanced Science, EarlyView.
An integrated computational screening strategy identified ursolic acid (UA) and 18β‐glycyrrhetinic acid (18βGA) as a self‐assembling food‐derived molecular pair. The resulting carrier‐free nanoparticles (UA‐18βGA) showed synergistic antiparasitic activity, reduced combined toxicity, and host‐protective anti‐inflammatory effects in zebrafish and murine ...
Shenye Qu, Ting Wang, Jietao Liu, Jiacheng Qin, Bin Yang, Yihang Liu, Pengfei Li, Gaoxue Wang, Fei Ling   +8 more
wiley   +1 more source

The pharmacophore of the human C5a anaphylatoxin [PDF]

Protein Science, 1994
AbstractWe have determined which amino acids contribute to the pharmacophore of human C5a, a potent inflammatory mediator. A systematic mutational analysis of this 74‐amino acid protein was performed and the effects on the potency of receptor binding and of C5a‐induced intracellular calcium ion mobilization were measured.
M J, Toth, L, Huwyler, W C, Boyar, A F, Braunwalder, D, Yarwood, J, Hadala, W O, Haston, M A, Sills, B, Seligmann, N, Galakatos   +9 more
openaire   +2 more sources

Development and validation of a 3D similarity method for virtual screening [PDF]

, 2013
A predictive 3D similarity workflow approach has been developed using a set of modular Java computer programs that implement algorithms that aim to capture the key components of a 3D similarity search and aim to incorporate methods that address both ...
Butler, Daniel
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