Results 31 to 40 of about 1,790,645 (373)

Relating Anaerobic Digestion Microbial Community and Process Function [PDF]

, 2016
Anaerobic digestion (AD) involves a consortium of microorganisms that convert substrates into biogas containing methane for renewable energy. The technology has suffered from the perception of being periodically unstable due to limited understanding of ...
Bocher, Benjamin T.W., Maki, James, Venkiteshwaran, Kaushik, Zitomer, Daniel   +3 more
core   +3 more sources

Feature Extraction Methods in Quantitative Structure–Activity Relationship Modeling: A Comparative Study

IEEE Access, 2020
Computational approaches for synthesizing new chemical compounds have resulted in a major explosion of chemical data in the field of drug discovery. The quantitative structure–activity relationship (QSAR) is a widely used classification and regression ...
Shrooq A. Alsenan, Isra M. Al-Turaiki, Alaaeldin M. Hafez   +2 more
semanticscholar   +1 more source

Synthesis and Quantitative Structure–Activity Relationship of Imidazotetrazine Prodrugs with Activity Independent of O6-Methylguanine-DNA-methyltransferase, DNA Mismatch Repair and p53. [PDF]

, 2013
The antitumor prodrug Temozolomide is compromised by its dependence for activity on DNA mismatch repair (MMR) and the repair of the chemosensitive DNA lesion, O6-methylguanine (O6-MeG), by O6-methylguanine-DNA-methyltransferase (EC 2.1.1.63, MGMT). Tumor
Arris C. E., Arrowsmith J., Barvaux V. A., Boberg F., Boyd M. R., Bunz F., Damera K., Darkes M. J. M., De K., Denny B. J., Dimitrios Pletsas, Dinca E. B., Elrashied A. E. Garelnabi, Garelnabi E. A. E., Hirose Y., Honnalli S. S., Judson P. L., Karran P., Karran P., Kotera M., Leteurtre F., Li Li, Liu L., McElhinney R. S., McGarrity J. F., Mladek A. C., Nishizuka S., Pletsas D., Richard T. Wheelhouse, Roger M. Phillips, Sarkaria J. N., Schmidt B. F., Schmiedekamp A., Shealy Y. F., Siddiqui A. A., Smith R. H., Stevens M. F. G., Svilar D., Wang Y., Wheelhouse R. T., Wheelhouse R. T., Zhang J., Zhang J.   +42 more
core   +1 more source

Quantitative structure-activity relationships for biodegradation

Ecotoxicology and Environmental Safety, 1990
Quantitative structure-activity relationships (QSARs) between biodegradation rates of organic compounds and chemical structure parameters are reviewed. Although a number of such relationships have been developed, they in general only apply to restricted ranges of compounds, limiting their value as predictors of biodegradation rates.
John R. Parsons, Harrie A. J. Govers
openaire   +3 more sources

Second-generation nitazoxanide derivatives: thiazolides are effective inhibitors of the influenza A virus [PDF]

, 2018
Aim: The only small molecule drugs currently available for treatment of influenza A virus (IAV) are M2 ion channel blockers and sialidase inhibitors. The prototype thiazolide, nitazoxanide, has successfully completed Phase III clinical trials against ...
Andrew V Stachulski, Brian M Eklov, Chandrakala Pidathala, Eleanor C Row, Giuseppe Belardo, J Edward Semple, Jean-Francois Rossignol, La Frazia S, M Gabriella Santoro, Mazhar Iqbal, Neil G Berry, Paul M O'Neill, Podlogar BL, Rossignol JF, Rossignol JF, Sara Piacentini, Sarah A Allman, Simone La Frazia   +17 more
core   +1 more source

Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles

Molecules, 2017
The discovery of selective inhibitors of biological target proteins is the primary goal of many drug discovery campaigns. However, this goal has proven elusive, especially for inhibitors targeting the well-conserved orthosteric adenosine triphosphate ...
Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, Jens Meiler   +3 more
doaj   +1 more source

Prediction of the inhibitory activity of benzimidazole derivatives against Bacillus spp. [PDF]

Acta Periodica Technologica, 2011
In the present paper, the antibacterial activity of some 1-benzylbenzimidazole derivatives was evaluated against Gram-positive bacteria Bacillus spp. by using QSAR (quantitative structure-activity relationship). The tested compounds displayed in vitro
Podunavac-Kuzmanovića Sanja O., Cvetković Dragoljub D., Gadžurić Slobodan B.   +2 more
doaj   +1 more source

A machine learning approach in predicting mosquito repellency of plant – derived compounds

Nova Biotechnologica et Chimica, 2018
The increasing prevalence of mosquito – borne diseases has prompted intensified efforts in the prevention of being bitten by the vector. Among the various strategies of vector control, the application of repellents provides instant and effective ...
Janairo Jose Isagani B., Janairo Gerardo C., Co Frumencio F.   +2 more
doaj   +1 more source

Quantitative structure-activity relationships to predict antibacterial effect of some benzimidazole derivatives [PDF]

Acta Periodica Technologica, 2008
The antibacterial activity of some substituted benzimidazole derivatives against Gram negative bacteria Escherichia coli was investigated. The tested compounds displayed in vitro inhibitory activity and their minimum inhibitory concentrations were ...
Podunavac-Kuzmanović Sanja O., Barna Dijana J., Cvetković Dragoljub D.   +2 more
doaj   +1 more source

Nucleus-Independent Chemical Shift (NICS) as a Criterion for the Design of New Antifungal Benzofuranones

Molecules, 2021
The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-
María de los Ángeles Zermeño-Macías, Marco Martín González-Chávez, Francisco Méndez, Arlette Richaud, Rodolfo González-Chávez, Luis Enrique Ojeda-Fuentes, Perla del Carmen Niño-Moreno, Roberto Martínez   +7 more
doaj   +1 more source