Results 181 to 190 of about 141,530 (234)
Some of the next articles are maybe not open access.
Challenges and limitations of computer-aided drug design.
Advances in PharmacologyMolecular Modelling in Drug Designing or Computer Aided Drug Designing (CADD) plays a significant role in new drug identification in the current world. However, it has sensitivity challenges and limitation because theoretical models involve assumption and approximations Computational models are not very accurate, some of the major challenges that face ...
Souvik Sur, Hemlata Nimesh
semanticscholar +3 more sources
Role of computer-aided drug design in modern drug discovery
Archives of Pharmacal Research, 2015Stephani Joy Y Macalino +2 more
exaly +2 more sources
The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)
Letters in Drug Design & Discovery, 2022Drug design and discovery is a process that requires high financial cost, as time-consuming. For many years, this process was focused on empirical pharmacology.
I. Nascimento +2 more
semanticscholar +1 more source
Journal of Biomolecular Structure and Dynamics, 2022
Small molecules such as 4-phenoxypyridine derivatives have remarkable inhibitory activity against c-Met enzymatic activity and proliferation of cancer cell lines. Since there is a relationship between structure and biological activity of these molecules,
O. Daoui +5 more
semanticscholar +1 more source
Small molecules such as 4-phenoxypyridine derivatives have remarkable inhibitory activity against c-Met enzymatic activity and proliferation of cancer cell lines. Since there is a relationship between structure and biological activity of these molecules,
O. Daoui +5 more
semanticscholar +1 more source
Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug Design.
Journal of Chemical Theory and Computation, 2023Structure-based drug design frequently operates under the assumption that a single holo structure is relevant. However, a large number of crystallographic examples clearly show that multiple conformations are possible.
M. Fajer +3 more
semanticscholar +1 more source
Drug Repositioning Using Computer-aided Drug Design (CADD).
Current Pharmaceutical Biotechnology, 2023Drug repositioning is a method of using authorized drugs for other unusually complex diseases. Compared to new drug development, this method is fast, low in cost, and effective.
R. Sona +12 more
semanticscholar +1 more source
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
openaire +2 more sources
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
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
openaire +2 more sources
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
openaire +2 more sources