Identification of Tyrosinase Inhibitors and Their Structure-Activity Relationships via Evolutionary Chemical Binding Similarity and Structure-Based Methods [PDF]
Molecules, 2021 Tyrosinase is an enzyme that plays a crucial role in the melanogenesis of humans and the browning of food products. Thus, tyrosinase inhibitors that are useful to the cosmetic and food industries are required.
Prasannavenkatesh Durai +4 more
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Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening [PDF]
BMC Bioinformatics, 2020 Background Despite continued efforts using chemical similarity methods in virtual screening, currently developed approaches suffer from time-consuming multistep procedures and low success rates.
Prasannavenkatesh Durai +3 more
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International Journal of Molecular Sciences, 2022 Drug resistance causes therapeutic failure in refractory cancer. Cancer drug resistance stems from various factors, such as patient heterogeneity and genetic alterations in somatic cancer cells, including those from identical tissues. Generally, resistance is intrinsic for cancers; however, cancer resistance becomes common owing to an increased drug ...
Jin Hong Lim +8 more
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Machine learning-based chemical binding similarity using evolutionary relationships of target genes [PDF]
Nucleic Acids Research, 2019 Abstract Chemical similarity searching is a basic research tool that can be used to find small molecules which are similar in shape to known active molecules. Despite its popularity, the retrieval of local molecular features that are critical to functional activity related to target binding often fails.
Keunwan Park +3 more
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Iterative machine learning-based chemical similarity search to identify novel chemical inhibitors
Journal of Cheminformatics, 2023 Machine learning-based chemical screening has made substantial progress in recent years. However, these predictions often have low accuracy and high uncertainty when identifying new active chemical scaffolds.
Prasannavenkatesh Durai +4 more
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Systematic in silico Evaluation of Leishmania spp. Proteomes for Drug Discovery
Frontiers in Chemistry, 2021 Leishmaniasis is a group of neglected infectious diseases, with approximately 1. 3 million new cases each year, for which the available therapies have serious limitations.
Crhisllane Rafaele dos Santos Vasconcelos +3 more
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Interaction studies of the human and Arabidopsis thaliana Med25-ACID proteins with the herpes simplex virus VP16- and plant-specific Dreb2a transcription factors. [PDF]
PLoS ONE, 2014 Mediator is an evolutionary conserved multi-protein complex present in all eukaryotes. It functions as a transcriptional co-regulator by conveying signals from activators and repressors to the RNA polymerase II transcription machinery.
Ximena Aguilar +5 more
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Frontiers in Microbiology, 2022 Seeds are one of the primary sources of contamination with foodborne pathogens, such as pathogenic Escherichia coli, and various Salmonella serovars, for produce, particularly sprouts.
Yen-Te Liao +5 more
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Journal of Cachexia, Sarcopenia and Muscle, 2022 Background The effects of some drugs, aging, cancers, and other diseases can cause muscle wasting. Currently, there are no effective drugs for treating muscle wasting.
Yoseph Toni Wijaya +10 more
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CoCUN, a Novel Ubiquitin Binding Domain Identified in N4BP1
Biomolecules, 2019 Ubiquitin binding domains (UBDs) are modular elements that bind non-covalently to ubiquitin and act as downstream effectors and amplifiers of the ubiquitination signal. With few exceptions, UBDs recognize the hydrophobic path centered on Ile44, including
Ridvan Nepravishta +9 more
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