Results 231 to 240 of about 12,983,542 (274)
One‐Step Curcumin‐Mediated Multiphoton Lithography for Bioactive 3D Scaffolds
Advanced Functional Materials, EarlyView.Curcumin‐mediated multiphoton lithography enables one‐step fabrication of highly architected complex gelatin methacryloyl scaffolds by exploiting curcumin as a multifunctional bioactive photoinitiator. The resulting 3D structures support mesenchymal stem cell adhesion, proliferation, and migration, while exhibiting dual antibacterial activity through ...
Myrto Charitaki +7 more
wiley +1 more source
Computer-Aided Drug Design: An Overview [PDF]
, 2018 The term drug design describes the search of novel compounds with biological activity, on a systematic basis. In its most common form, it involves modification of a known active scaffold or linking known active scaffolds, although de novo drug design (i.e., from scratch) is also possible.
Surabhi, Surabhi, Singh, BK
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2021
The long-used traditional methodology for novel drug discovery and drug development is an immensely challenging, multifaceted, and prolonged process. To overcome this limitation, a new advanced approach was developed and adopted over time which is referred to as computer-aided drug discovery (CADD).
Thakor Rajkishan +4 more
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The long-used traditional methodology for novel drug discovery and drug development is an immensely challenging, multifaceted, and prolonged process. To overcome this limitation, a new advanced approach was developed and adopted over time which is referred to as computer-aided drug discovery (CADD).
Thakor Rajkishan +4 more
openaire +1 more source
2014
Computer-aided drug designing has emerged as a cost-effective and rapid tool for the discovery of newer therapeutic agents. Several algorithms have been developed to analyze protein structure and function, to identify interacting ligands, active site residues, and to study protein-ligand interactions, which can eventually lead to the identification of ...
Mohini, Gore, Neetin S, Desai
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Computer-aided drug designing has emerged as a cost-effective and rapid tool for the discovery of newer therapeutic agents. Several algorithms have been developed to analyze protein structure and function, to identify interacting ligands, active site residues, and to study protein-ligand interactions, which can eventually lead to the identification of ...
Mohini, Gore, Neetin S, Desai
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Strategy of Computer-Aided Drug Design
Current Drug Target -Infectious Disorders, 2003Modern strategies of computer-aided drug design (CADD) are reviewed. The task of CADD in the pipeline of drug discovery is accelerating of finding the new lead compounds and their structure optimization for the following pharmacological tests. The main directions in CADD are based on the availability of the experimentally determined three-dimensional ...
A V, Veselovsky, A S, Ivanov
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Computer-aided design of crystalline drugs
Proceedings of the Twenty-Eighth Hawaii International Conference on System Sciences, vol.5, 2002A method to predict crystal structures of crystalline drugs by systematic searching for minimum-energy packings is outlined. It bases on the use of the observed space-group occurrence factors to postulate crystal symmetry. The search region is chosen within the fundamental unit of multi-dimensional crystal-structure parameter space, including the cell ...
A. V. Dzyabchenko, Valery N. Agafonov
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Annual Review of Pharmacology and Toxicology, 1987
Progress in genetic engineering has increased the need for, while advances in computational hardware have removed barriers impeding, the development of appropriate computational tools to assist in the understanding of molecular interactions. Advancements both in techniques and in broadening application have been clearly demonstrated.
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Progress in genetic engineering has increased the need for, while advances in computational hardware have removed barriers impeding, the development of appropriate computational tools to assist in the understanding of molecular interactions. Advancements both in techniques and in broadening application have been clearly demonstrated.
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Recent Advances in Computer Aided Drug Design
Current Topics in Medicinal Chemistry, 2023Riccardo, Concu +2 more
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2021
Computer-Aided Drug Design topic deals with the application of computer hardware and software to provide solutions at every stage of drug discovery. QSAR methods help in evaluating the data emerging from pharmacology laboratories. The molecular docking methods provide atomic-level information regarding the interaction between drugs and macromolecules ...
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Computer-Aided Drug Design topic deals with the application of computer hardware and software to provide solutions at every stage of drug discovery. QSAR methods help in evaluating the data emerging from pharmacology laboratories. The molecular docking methods provide atomic-level information regarding the interaction between drugs and macromolecules ...
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Update on computer-aided drug design
Current Opinion in Biotechnology, 1995Recent advances in computational methods for drug design include developments in quantitative structure-activity relationship approaches as well as novel structure-based strategies. Many new protein structures of pharmaceutical interest have been solved, a number of which contain a bound inhibitor. Continued progress has been reported in algorithms for
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