Results 281 to 290 of about 3,487,707 (291)

A DFT study of the chemical reactivity properties, spectroscopy and bioactivity scores of bioactive flavonols

Computational and Theoretical Chemistry, 2022
Eric O. Akintemi, Krishna K. Govender, Thishana Singh   +2 more
openaire   +1 more source

iDPPIV-SCM: A sequence-based predictor for identifying and analyzing dipeptidyl peptidase IV (DPP-IV) inhibitory peptides using a scoring card method.

Journal of Proteome Research, 2020
The inhibition of dipeptidyl peptidase IV (DPP-IV, E.C.3.4.14.5) is well recognized as a new avenue for the treatment of Type 2 diabetes (T2D). Until now, peptide-like DDP-IV inhibitors have been shown to normalize the blood glucose concentration in T2D ...
Phasit Charoenkwan, Sakawrat Kanthawong, C. Nantasenamat, M. Hasan, Watshara Shoombuatong   +4 more
semanticscholar   +1 more source

Signature Analysis of High-Throughput Transcriptomics Screening Data for Mechanistic Inference and Chemical Grouping.

Toxicological Sciences
High-throughput transcriptomics (HTTr) uses gene expression profiling to characterize the biological activity of chemicals in in vitro cell-based test systems.
J. Harrill, Logan J. Everett, D. Haggard, Laura J Word, J. Bundy, Bryant A. Chambers, Felix R. Harris, C. Willis, Russell S. Thomas, I. Shah, R. Judson   +10 more
semanticscholar   +1 more source

Exploring the bioactive potential of peptides derived from the RuBisCO protein in Caulerpa racemosa: an in silico approach

Biotech Studies
Caulerpa racemosa harbors a rich reservoir of bioactive peptides derived from RuBisCO, a photosynthetic enzyme with promising therapeutic potential. This study aimed to systematically identify and characterize bioactive peptides from C.
Seto Windarto, V. Herawati, Y. J. Wijaya, Dyah Ayu Indriati   +3 more
semanticscholar   +1 more source

An Alternative Approach to Computational Peptidology Based on Conceptual DFT and Empirical Bioactivity Scores

, 2019
N. Flores-Holguín, J. Frau, D. Glossman‐Mitnik   +2 more
semanticscholar   +1 more source

Synthesis, spectral analysis, DFT calculations, biological potential and molecular docking studies of indole appended pyrazolo-triazine

Molecular diversity, 2022
S. Basavarajaiah, G. Nagesh, Mohammad Javeed, R. Bhat, S. Nethravathi, Jeelan Basha N, K. R. Reddy, C. Nisarga, Pooja Srinivas   +8 more
semanticscholar   +1 more source

Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model.

Environmental Science and Technology, 2015
P. Browne, R. Judson, W. Casey, N. Kleinstreuer, Russell S. Thomas   +4 more
semanticscholar   +1 more source

Synthesis and anticoagulant bioactivity evaluation of 1,2,5-trisubstituted benzimidazole fluorinated derivatives

Chemical Research in Chinese Universities, 2016
Haoran Yang, Y. Ren, Xiaodong Gao, Yonghong Gao   +3 more
semanticscholar   +1 more source

PEGylated HM-3 presents anti-rheumatic bioactivity by inhibiting angiogenesis and inflammation.

Journal of materials chemistry. B, 2014
Shen Hong, Han Haibing, H. Jialiang, Zhang Xiao-juan, Wang Jingjing, W. Wenjing, Nie Caihui, Xu Hanmei   +7 more
semanticscholar   +1 more source

Pharmacokinetic studies, molecular docking, and molecular dynamics simulations of phytochemicals from Morus alba: a multi receptor approach for potential therapeutic agents in colorectal cancer

Medical Oncology
B. Stany, Shatakshi Mishra, K. V. B. Rao
semanticscholar   +1 more source