Results 61 to 70 of about 29,861 (222)
QSAR study by 1,2,4-triazoles using several physicochemical descriptors
Macedonian Journal of Chemistry and Chemical Engineering, 2009 A QSAR study on the inhibition of Bacillus subtilis and Salmonella enteritidis by 1,2,4-triazoles using several physicochemical descriptors was performed. The 1,2,4-triazoles consist of 18 derivatives with N1-aryl- or N1- heteroaryl substituted rings and
Vesna Dimova, Nada Perišić-Janjić
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In Silico Strategies in Tuberculosis Drug Discovery
Molecules, 2020 Tuberculosis (TB) remains a serious threat to global public health, responsible for an estimated 1.5 million mortalities in 2018. While there are available therapeutics for this infection, slow-acting drugs, poor patient compliance, drug toxicity, and ...
Stephani Joy Y. Macalino +3 more
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Cyanoacetamidobetaine—A Zwitterionic Nitrile Derivative
ChemistryOpen, EarlyView.The reaction of sodium dicyanamide with betainium chloride in aqueous solution affords N‐cyano‐2‐(trimethylammonio)acetaminide (cyanoacetamidobetaine). Single crystal X‐ray diffraction reveals a monoclinic structure comprising a trimethylammonium head group connected to a cyanoacetaminide unit via a methylene bridge.
Pan Duan +5 more
wiley +1 more source
Small, EarlyView.Antimicrobial peptides (AMPs) are promising candidates for next‐generation antibiotics, acting through mechanisms such as membrane disruption and intracellular targeting. This review examines how variations in bacterial membrane composition critically influence AMP activity.
Paolo Rossetti +5 more
wiley +1 more source
QSAR Analysis of Natural Lupeol Analogs as Antimalarial agents [PDF]
BIO Web of ConferencesMalaria is an infectious disease that affects millions of people caused by Plasmodium parasite. The growing Plasmodium resistance underscores existing antimalarial drugs and necessities novel antimalarial drugs with high efficiency. Lupeol is a naturally
Rajathei David Mary
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Atomic Force Microscopy for Cross‐Disciplinary Materials Research
Small Methods, EarlyView.This figure demonstrates the broad applicability of atomic force microscopy (AFM) across interdisciplinary materials research. Interlocking puzzle pieces illustrate how AFM integrates with complementary analytical techniques to provide comprehensive material characterization.
Soyun Joo +7 more
wiley +1 more source
Uncertainty in QSAR Predictions
Alternatives to Laboratory Animals, 2013 It is relevant to consider uncertainty in individual predictions when quantitative structure–activity (or property) relationships (QSARs) are used to support decisions of high societal concern. Successful communication of uncertainty in the integration of QSARs in chemical safety assessment under the EU Registration, Evaluation, Authorisation and ...
openaire +3 more sources
Artificial intelligence‐powered microscopy: Transforming the landscape of parasitology
Journal of Microscopy, EarlyView.Abstract Microscopy and image analysis play a vital role in parasitology research; they are critical for identifying parasitic organisms and elucidating their complex life cycles. Despite major advancements in imaging and analysis, several challenges remain. These include the integration of interdisciplinary data; information derived from various model
Mariana De Niz +4 more
wiley +1 more source
QSAR, Molecular Docking and protein ligand interaction fingerprint studies of N-phenyl dichloroacetamide derivatives as anticancer agents [PDF]
Trends in Pharmaceutical Sciences, 2016 Dichloroacetate (DCA) is a pyruvate mimetic compound that stimulates the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4).
Masood Fereidoonnezhad +5 more
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