Advances in the Computational Identification of Allosteric Sites and Pathways in Proteins.
Sign Up to like & getrecommendations! Published in 2019 at "Advances in experimental medicine and biology"
DOI: 10.1007/978-981-13-8719-7_7
Abstract: With the increasing difficulty to develop new drugs and the emergence of resistance to traditional orthosteric-site inhibitors, the search for alternatives is finally approaching the focus on allosteric sites. Allosteric sites offer opportunities to regulate many pharmacologically targeted… read more here.
Keywords: allosteric sites; identification allosteric; sites pathways; computational identification ... See more keywords
Computational identification of structural factors affecting the mutagenic potential of aromatic amines: study design and experimental validation
Sign Up to like & getrecommendations! Published in 2018 at "Archives of Toxicology"
DOI: 10.1007/s00204-018-2216-x
Abstract: A grid-based, alignment-independent 3D-SDAR (three-dimensional spectral data–activity relationship) approach based on simulated 13C and 15N NMR chemical shifts augmented with through-space interatomic distances was used to model the mutagenicity of 554 primary and 419 secondary… read more here.
Keywords: validation; aromatic amines; experimental validation; computational identification ... See more keywords
Computational Identification of Small Interfering RNA Targets in SARS-CoV-2
Sign Up to like & getrecommendations! Published in 2020 at "Virologica Sinica"
DOI: 10.1007/s12250-020-00221-6
Abstract: With the epidemic of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) worldwide and in the absence of any effective vaccine, there is an urgent need to find a specific anti- SARS-CoV-2 agent. In this study,… read more here.
Keywords: small interfering; identification small; interfering rna; rna targets ... See more keywords
Computational identification of potent inhibitors for Streptomycin 3″-adenylyltransferase of Serratia marcescens.
Sign Up to like & getrecommendations! Published in 2017 at "Microbial pathogenesis"
DOI: 10.1016/j.micpath.2016.12.015
Abstract: Serratia marcescens is an opportunistic pathogen responsible for the respiratory and urinary tract infections in humans. The antibiotic resistance mechanism of S. marcescens is mediated through aminoglycoside modification enzyme that transfer adenyl group from substrate to… read more here.
Keywords: streptomycin adenylyltransferase; serratia marcescens; structure; identification potent ... See more keywords
Computational identification and characterization of miRNAs and their target genes from five cyprinidae fishes
Sign Up to like & getrecommendations! Published in 2017 at "Saudi Journal of Biological Sciences"
DOI: 10.1016/j.sjbs.2015.05.007
Abstract: MicroRNAs (miRNAs) are a kind of small single-strand RNA molecules with lengths of 18–25 nt, which do not encode any proteins. They play an essential role in gene expression regulation by binding to their target… read more here.
Keywords: target genes; cyprinidae fishes; five cyprinidae; characterization mirnas ... See more keywords
Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01223
Abstract: In this study, we target the main protease (Mpro) of the SARS-CoV-2 virus as it is a crucial enzyme for viral replication. Herein, we report three plausible allosteric sites on Mpro that can expand structure-based… read more here.
Keywords: sars cov; identification possible; computational identification; allosteric sites ... See more keywords
Prion-like proteins and their computational identification in proteomes
Sign Up to like & getrecommendations! Published in 2017 at "Expert Review of Proteomics"
DOI: 10.1080/14789450.2017.1304214
Abstract: ABSTRACT Introduction: The aberrant or misfolded forms of the prion protein have been described as the causative agents of rare transmissible spongiform encephalopathies. In addition, proteins associated with frequently occurring neurodegenerative disorders, such as Alzheimer’s… read more here.
Keywords: like proteins; proteins computational; identification proteomes; prion like ... See more keywords
Computational Identification of MicroRNAs and Their Transcript Target(s) in Field Mustard (Brassica rapa L.)
Sign Up to like & getrecommendations! Published in 2017 at "Iranian Journal of Biotechnology"
DOI: 10.15171/ijb.1390
Abstract: Background Micro RNAs (miRNAs) are a pivotal part of non-protein-coding endogenous small RNA molecules that regulate the genes involved in plant growth and development, and respond to biotic and abiotic environmental stresses posttranscriptionally. Objective In… read more here.
Keywords: plant; micrornas transcript; target; identification micrornas ... See more keywords
Computational Identification of miRNAs and Temperature-Responsive lncRNAs From Mango (Mangifera indica L.)
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Genetics"
DOI: 10.3389/fgene.2021.607248
Abstract: Mango is a major tropical fruit in the world and is known as the king of fruits because of its flavor, aroma, taste, and nutritional values. Although various regulatory roles of microRNAs (miRNAs) and long… read more here.
Keywords: lncrnas mango; temperature responsive; mirnas lncrnas; identification mirnas ... See more keywords
Computational Identification of BCR-ABL Oncogenic Signaling as a Candidate Target of Withaferin A and Withanone
Sign Up to like & getrecommendations! Published in 2022 at "Biomolecules"
DOI: 10.3390/biom12020212
Abstract: Withaferin-A (Wi-A), a secondary metabolite extracted from Ashwagandha (Withania somnifera), has been shown to possess anticancer activity. However, the molecular mechanism of its action and the signaling pathways have not yet been fully explored. We… read more here.
Keywords: abl oncogenic; oncogenic signaling; bcr abl; computational identification ... See more keywords
Computational Identification of microRNAs binding to the Transcription factors related to Dopamine Neurons
Sign Up to like & getrecommendations! Published in 2018 at "Research Journal of Pharmacy and Technology"
DOI: 10.5958/0974-360x.2018.01005.3
Abstract: The combinatorial interplay between transcription factors (TF’s) and microRNAs (miRNAs) are involved in numerous biological processes including the pathogenesis of Parkinson’s disease (PD). The dopamine neuron differentiation and survival are controlled by the levels of… read more here.
Keywords: transcription; binding transcription; micrornas binding; identification micrornas ... See more keywords