Results 91 to 100 of about 75,103 (257)

Screening benzimidazole derivatives for atypical antipsychotic activity

open access: yesФармация и фармакология (Пятигорск)
The development of innovative antipsychotic drugs is one of the key tasks of modern pharmacology. Due to their unique chemical properties, benzimidazole derivatives demonstrate diverse neuropsychotropic effects, highlighting their high potential as ...
K. Yu. Kalitin   +2 more
doaj   +1 more source

From Membrane Composition to Antimicrobial Strategies: Experimental and Computational Approaches to AMP Design and Selectivity

open access: yesSmall, 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

Three Dimensional Quantitative Structure-Activity Relationships of Sulfonamides Binding Monoclonal Antibody by Comparative Molecular Field Analysis [PDF]

open access: yes, 2008
The three-dimensional quantitative structure-activity relationship (3D-QSAR) model of sulfonamide analogs binding a monoclonal antibody (MabSMR) produced against sulfamerazine, was carried out by comparative molecular field analysis (CoMFA).
Congming Wu   +8 more
core   +1 more source

A review on the structural characterization of nanomaterials for nano-QSAR models

open access: yesBeilstein Journal of Nanotechnology
Quantitative structure–activity relationship (QSAR) models are routinely used to predict the properties and biological activity of chemicals to direct synthetic advances, perform massive screenings, and even to register new substances according to ...
Salvador Moncho   +3 more
doaj   +1 more source

Computer prediction of toxicity of new S-alkyl derivatives of 1,2,4-triazole

open access: yesAktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki
1,2,4-Triazole derivatives are of researchers’ significant interest due to their diverse biological properties, such as antimicrobial, anti-inflammatory, anticancer, and antioxidant activities.
V. V. Kalchenko, R. O. Shcherbyna
doaj   +1 more source

Artificial intelligence‐powered microscopy: Transforming the landscape of parasitology

open access: yesJournal 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

Screen ammonium‐based deep eutectic solvents for CO2 capture: Extended UNIFAC‐DES, calibrated COSMO‐RS, and experiment

open access: yesAIChE Journal, Volume 72, Issue 2, February 2026.
Abstract CO2 solubility in deep eutectic solvent (DES) is a critical property to indicate the competence of using DESs for carbon capture. This work presents a systematic screening framework with computational and experimental procedures to identify the promising ammonium‐based DESs for CO2 absorption.
Hao Qin   +3 more
wiley   +1 more source

Relating Methanogen Community Structure and Anaerobic Digester Function [PDF]

open access: yes, 2015
Much remains unknown about the relationships between microbial community structure and anaerobic digester function. However, knowledge of links between community structure and function, such as specific methanogenic activity (SMA) and COD removal rate ...
Bocher, Benjamin T.W.   +4 more
core   +1 more source

Evaluating the Impact of Intestinal Bile Salts on Drug Absorption Using PBPK Modeling: Case Studies With Efavirenz, Cinnarizine, and Posaconazole

open access: yesCPT: Pharmacometrics &Systems Pharmacology, Volume 15, Issue 2, February 2026.
ABSTRACT A high number of poorly soluble compounds are being developed; thus, understanding the factors that influence their absorption is critical. Intestinal bile salts, which facilitate micelle‐mediated solubilization, are particularly important for drugs with low solubility and are reported to be highly variable.
Laura G. Al‐Amiry Santos   +2 more
wiley   +1 more source

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