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Computer-aided drug design [PDF]
BMC Chemistry, 2023 Computer-Aided Drug Design tools are now an indispensable part of drug discovery that have made key contributions to the development of drugs. In this editorial, I briefly provide an overview of CADD emphasizing its potential and invite authors from ...
Abdulilah Ece
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Computer-Aided Drug Design and Drug Discovery [PDF]
PharmaceuticalsIn the rapidly evolving landscape of pharmaceutical research, the integration of computational methods has become a cornerstone in drug discovery and development efforts [...]
Dragos Paul Mihai +1 more
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Computer-Aided Drug Design in Epigenetics [PDF]
Frontiers in Chemistry, 2018 Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field.
Wenchao Lu +9 more
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Role of Computer-Aided Drug Design in Drug Development [PDF]
Molecules, 2023 The introduction of computational techniques to pharmaceutical chemistry and molecular biology in the 20th century has changed the way people develop drugs [...]
Ruoxu Gu, Fengxu Wu, Zunnan Huang
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Computer-Aided Drug Design: An Update. [PDF]
Methods Mol Biol, 2023 Computer-aided drug design (CADD) approaches are playing an increasingly important role in understanding the fundamentals of ligand-receptor interactions and helping medicinal chemists design therapeutics. About 5 years ago, we presented a chapter devoted to an overview of CADD methods and covered typical CADD protocols including structure-based drug ...
Yu W, Weber DJ, MacKerell AD.
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Developing novel Lin28 inhibitors by computer aided drug design [PDF]
Cell Death DiscoveryLin28 is a key regulator of cancer stem cell gene network that promotes therapy-resistant tumor progression in various tumors. However, no Lin28 inhibitor has been approved to treat cancer patients, urging exploration of novel compounds as candidates to ...
Victor M. Matias-Barrios +12 more
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Informatics in Medicine Unlocked, 2021 Tuberculosis (TB) is one of the leading causes of death worldwide. The development of new anti-tubercular drugs is required as resistant strains of M. tuberculosis to various first-line drugs are currently available.
Jakaria Shawon +3 more
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International Journal of Advanced Research in Science, Communication and Technology, 2022 Computational approaches in drug style, discovery and admiration. Generally, drug discovery takes an extended Duration of your time amount Ni twelve year and billon of capital. It includes the making of recent molecules, docking Molecules to focus on macromolecule, analyzing molecular interaction, estimating binding strength and drug properties ...
Abdullah, Rami, Hasan, Hisham Essam
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Computer-Aided Drug Design Boosts RAS Inhibitor Discovery [PDF]
Molecules, 2022 Jiarui Cui, Ge Wang, Zirui Zong
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Cell Death and Disease, 2022 Triple-negative breast cancer (TNBC) is a heterogeneous subtype of breast cancer that displays highly aggressive with poor prognosis. Owing to the limited targets and drugs for TNBC clinical therapy, it is necessary to investigate the factors regulating ...
Pengyun Li +12 more
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