Results 121 to 130 of about 4,323,150 (379)

Controlled Aggregation of Pyrene‐Based Supramolecular Nanostructures for Light‐Driven Switchable H2 or H2O2 Production

Advanced Functional Materials, EarlyView.
This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri, Matilde Doardo, Ilaria Fortunati, Anna Fortunato, Elisabetta Collini, Francesca Arcudi, Luka Ðorđević   +6 more
wiley   +1 more source

Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge space? [PDF]

, 2006
The organization and mining of malaria genomic and post-genomic data is highly motivated by the necessity to predict and characterize new biological targets and new drugs. Biological targets are sought in a biological space designed from the genomic data
Bastien, Olivier, Birkholtz, Lyn-Marie, Breton, Vincent, Grando, Delphine, Hofmann-Apitius, Martin, Jacq, Nicolas, Joubert, Fourie, Kasam, Vinod, Louw, Abraham I, Maréchal, Eric, Ortet, Philippe, Roy, Sylvaine, Saïdani, Nadia, Wells, Gordon, Zimmermann, Marc   +14 more
core   +4 more sources

Host‐Directed Biomaterials for Combatting Bloodstream Infections: From Macrocyclic Peptides to Immune‐Activating Cell Backpacks

Advanced Functional Materials, EarlyView.
Bloodstream infections (BSI) are one of the leading causes of mortality and morbidity in both civilian and military populations. This paper summarizes recent progress in novel treatment strategies to manage BSI arising from both bacterial and fungal pathogens using molecules, particles, and materials to elicit host‐directed immunity.
Thomas Thomou, Jagadish Krishnappa, Justin B. Schaal, Prasad Tongaonkar, Dat Q. Tran, Wenchao Gu, Yung‐Fu Chang, Michael E. Selsted, Shaoyi Jiang, Samir Mitragotri, Michael Super, Christopher J. Bettinger   +11 more
wiley   +1 more source

Assessing molecular docking tools: understanding drug discovery and design

Future Journal of Pharmaceutical Sciences
Background In this twenty-first century, artificial intelligence and computational-based studies, i.e., pharmaceutical biotechnology, are more important in every field, even in the field of drug discovery, design, and development, and they should be for ...
Harendar Kumar Nivatya, Anjali Singh, Nitin Kumar, Sonam, Lovy Sharma, Vishal Singh, Raghav Mishra, Nishant Gaur, Arun Kumar Mishra   +8 more
doaj   +1 more source

Expanding Chemical Space of Nucleic Acid Nanoparticles for Tunable Antiviral‐Like Immunomodulatory Responses and Potent Adjuvant Activity

Advanced Functional Materials, EarlyView.
We introduce a nucleic acid nanoparticle (NANP) platform designed to be rrecognized by the human innate immune system in a regulated manner. By changing chemical composition while maintaining constant architectural parameters, we identify key determinants of immunorecognition enabling the rational design of NANPs with tunable immune activation profiles
Martin Panigaj, Hannah S. Newton, Jian Wang, Laxmi Pandey, Yelixza I. Avilla, Phong Nguyen, Morgan Chandler, Justin Halman, Yasmine Radwan, Stephanie Smith, Elijah Edmondson, Simone Difilippantonio, Chelsea Sanders, Bao Tran, Yongmei Zhao, Shaojun Xie, Edward Cedrone, Barry W. Neun, Meni Wanunu, Nikolay V. Dokholyan, Marina A. Dobrovolskaia, Kirill A. Afonin   +21 more
wiley   +1 more source

A Smart Bio‐Battery Facilitates Diabetic Bone Defect Repair Via Inducing Macrophage Reprogramming and Synergistically Modulating Bone Remodeling Coupling

Advanced Functional Materials, EarlyView.
This research presents a novel implantable bio‐battery, GF‐OsG, tailored for diabetic bone repair. GF‐OsG generates microcurrents in high‐glucose conditions to enhance vascularization, shift macrophages to the M2 phenotype, and regulate immune responses.
Nanning Lv, Haifu Sun, Wenxiang Tang, Yonggang Li, Zhonglai Qian, Lihui Hong, Chong Chen, Hongye Li, Jiaxiang Bai, Yusen Qiao, Mingming Liu   +10 more
wiley   +1 more source

In Silico Approaches for Rational Drug Design and Potential Enzyme Inhibitors Discovery: A Mini-Review [PDF]

Journal of Advanced Biomedical Sciences
The field of drug design has undergone remarkable advancements with the advent of in silico methods, which utilize computational approaches that accelerate the discovery and development of novel therapeutics.
Morteza Sadeghi, Mehran Miroliaei, Mustafa Ghanadian   +2 more
doaj  

Programmable DNA‐Peptide Hybrid Nanostructures for Potent Neutralization of Multiple Influenza a Virus Subtypes

Advanced Functional Materials, EarlyView.
A multivalent antiviral platform based on honeycomb‐shaped DNA nanostructures (HC–Urumin) is developed to enhance the potency and breadth of the host defense peptide Urumin. Through spatially patterned trimeric presentation, HC–Urumin disrupts influenza A virus entry, improves cell viability, and reduces disease severity in vivo‐offering a modular and ...
Saurabh Umrao, Abhisek Dwivedy, Payton L. Haak, Dhanush Gandavadi, Laurie A. Rund, Chi Chen, Vineetha Mareddy, Lifeng Zhou, Jinwei Duan, Ying Fang, Andrew J. Steelman, Xing Wang   +11 more
wiley   +1 more source

Uses of Molecular Docking Simulations in Elucidating Synergistic, Additive, and/or Multi-Target (SAM) Effects of Herbal Medicines

Molecules
The philosophy of herbal medicines is that they contain multiple active components that target many aspects of a given disease. This is in line with the recent multiple-target strategy adopted due to shortcomings with the previous “magic bullet”, single ...
Sean P. Rigby
doaj   +1 more source

Molecular Docking for Predictive Toxicology

, 2018
Molecular docking is an in silico method widely applied in drug discovery programs to predict the binding mode of a given molecule interacting with a specific biological target. This computational technique is today emerging also in the field of predictive toxicology for regulatory purposes, being for instance successfully applied to develop ...
Trisciuzzi, Daniela, Alberga, Domenico, Leonetti, Francesco, Novellino, Ettore, Nicolotti, Orazio, Mangiatordi, Giuseppe F.   +5 more
openaire   +3 more sources