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Application of computational biology and artificial intelligence technologies in cancer precision drug discovery
Artificial intelligence (AI) proves to have enormous potential in many areas of healthcare
including research and chemical discoveries. Using large amounts of aggregated data, the …
including research and chemical discoveries. Using large amounts of aggregated data, the …
[HTML][HTML] Toxicodynamics of mycotoxins in the framework of food risk assessment—an in silico perspective
Mycotoxins severely threaten the health of humans and animals. For this reason, many
countries have enforced regulations and recommendations to reduce the dietary exposure …
countries have enforced regulations and recommendations to reduce the dietary exposure …
Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance
Resistance to key first-line drugs is a major hurdle to achieve the global end tuberculosis
(TB) targets. A prodrug, pyrazinamide (PZA) is the only drug, effective in latent TB …
(TB) targets. A prodrug, pyrazinamide (PZA) is the only drug, effective in latent TB …
In silico functional, structural and pathogenicity analysis of missense single nucleotide polymorphisms in human MCM6 gene
Single nucleotide polymorphisms (SNPs) are one of the most common determinants and
potential biomarkers of human disease pathogenesis. SNPs could alter amino acid …
potential biomarkers of human disease pathogenesis. SNPs could alter amino acid …
A profound computational study to prioritize the disease-causing mutations in PRPS1 gene
Abstract Charcot-Marie-Tooth disease (CMT) is one of the most commonly inherited
congenital neurological disorders, affecting approximately 1 in 2500 in the US. About 80 …
congenital neurological disorders, affecting approximately 1 in 2500 in the US. About 80 …
[HTML][HTML] Novel ligand-based docking; molecular dynamic simulations; and absorption, distribution, metabolism, and excretion approach to analyzing potential …
Acetylcholinesterase (AChE) plays an important role in Alzheimer's disease (AD). The
excessive activity of AChE causes various neuronal problems, particularly dementia and …
excessive activity of AChE causes various neuronal problems, particularly dementia and …
Genetic epidemiology of glucose-6-phosphate dehydrogenase deficiency in the Arab world
A systematic search was implemented using four literature databases (PubMed, Embase,
Science Direct and Web of Science) to capture all the causative mutations of Glucose-6 …
Science Direct and Web of Science) to capture all the causative mutations of Glucose-6 …
[HTML][HTML] Emerging mutations in envelope protein of SARS-CoV-2 and their effect on thermodynamic properties
Structural proteins of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) are
potential drug targets due to their role in the virus life cycle. The envelope (E) protein is one …
potential drug targets due to their role in the virus life cycle. The envelope (E) protein is one …
3D-QSAR, molecular docking, molecular dynamic simulation, and ADMET study of bioactive compounds against candida albicans
Candida albicans has developed significant levels of resistance to traditional antifungals,
posing a danger to world health. In this research, the potential inhibitory of a class of twenty …
posing a danger to world health. In this research, the potential inhibitory of a class of twenty …
Quantum biochemical analysis of the binding interactions between a potential inhibitory drug and the Ebola viral glycoprotein
JM da Rocha, DMO Campos, SC Esmaile… - Journal of …, 2024 - Taylor & Francis
Ebola virus disease (EVD) causes outbreaks and epidemics in West Africa that persist until
today. The envelope glycoprotein of Ebola virus (GP) consists of two subunits, GP1 and …
today. The envelope glycoprotein of Ebola virus (GP) consists of two subunits, GP1 and …