Synthesis, Analgesic, Anti-inflammatory and Antimicrobial Activities of Some Novel Pyrazoline Derivatives

Purpose: Microbial infections often produce pain and inflammation. Chemotherapeutic, analgesic and anti-inflammatory drugs are prescribed simultaneously in normal practice. The compound possessing all three activities is not common.The purpose of the present study was to examine whether molecular modification might result in detection of new potential antirheumatic drugs having antimicrobial activities. Method: A series of novel 4-(5′-substituted aryl-4′, 5′-dihydropyrazole-3′-yl-amino) phenols 2a-f have been synthesized by treating substituted aryl-N-chalconyl amino phenols 1a-f with hydrazine hydrate. The starting materials were synthesized from p-aminoacetophenone. Their structures were confirmed by IR, 1H NMR spectral data. The synthesized compounds were investigated for analgesic, ant-inflammatory and antimicrobial activities. Result: The data reported in Tables 2, 3 & 4 shows that effect of variation in chemical structure on activity was rather unpredictable. Seldom did a particular structural modification lead to uniform alteration in activity in all tests. The substitution which appeared to be most important for high order of activity in the greatest number of test was the p-choloroaryl group. The introduction of p-nitro and p-hydroxy group in aryl moiety of the pyrazole analogs 2c and 2e produce compounds with potent analgesic, anti-inflamatory and, in a few cases, antimicrobial properties. Conclusion: The observed increase in analgesic, anti-inflammatory and antimicrobial activities are attributed to the presence of 4-NO2, 2-OH and 4-Cl in phenyl ring at 5-position of pyrazoline ring of synthesized compounds. In some cases their activities are equal or more potent than the standard drugs. Keywords: Pyrazole, Analgesic, Anti-inflammatory, Antibacterial activity Tropical Journal of Pharmaceutical Research Vol. 7 (2) 2008: pp. 961-96

Overlay databank unlocks data-driven analyses of biomolecules for all

Tools based on artificial intelligence (AI) are currently revolutionising many fields, yet their applications are often limited by the lack of suitable training data in programmatically accessible format. Here we propose an effective solution to make data scattered in various locations and formats accessible for data-driven and machine learning applications using the overlay databank format. To demonstrate the practical relevance of such approach, we present the NMRlipids Databank—a community-driven, open-for-all database featuring programmatic access to quality-evaluated atom-resolution molecular dynamics simulations of cellular membranes. Cellular membrane lipid composition is implicated in diseases and controls major biological functions, but membranes are difficult to study experimentally due to their intrinsic disorder and complex phase behaviour. While MD simulations have been useful in understanding membrane systems, they require significant computational resources and often suffer from inaccuracies in model parameters. Here, we demonstrate how programmable interface for flexible implementation of data-driven and machine learning applications, and rapid access to simulation data through a graphical user interface, unlock possibilities beyond current MD simulation and experimental studies to understand cellular membranes. The proposed overlay databank concept can be further applied to other biomolecules, as well as in other fields where similar barriers hinder the AI revolution

Unified model for quasar absorption line systems

We propose a three component model consisting of minihalos and galactic halos with embedded thin discs for absorbers producing all the observed classes of intervening quasar absorption line systems. We show that this model, based on CDM cosmology, can explain most of the observed statistical distributions of various types of absorption systems. Use of the Schechter luminosity function for absorbers, on the other hand, is consistent with the observations only if the number of galaxies was larger in the past and reduced with time due to mergers. A strong chemical evolution in the halos of galaxies is indicated by the observed properties of CIV lines. We discuss our results in the light of the recent observations of the absorption line systems.Comment: 8 pages and 7 figures. Accepted for publication in Astronomy and Astrophysic

Synthesis, Analgesic, Anti-inflammatory and Antimicrobial Activities of Some Novel Pyrazoline Derivatives

Purpose: Microbial infections often produce pain and inflammation. Chemotherapeutic, analgesic and anti-inflammatory drugs are prescribed simultaneously in normal practice. The compound possessing all three activities is not common.The purpose of the present study was to examine whether molecular modification might result in detection of new potential antirheumatic drugs having antimicrobial activities. Method: A series of novel 4-(5'-substituted aryl-4',5'-dihydropyrazole-3'-yl-amino) phenols 2a-f have been synthesized by treating substituted aryl-N-chalconyl amino phenols 1a-f with hydrazine hydrate. The starting materials were synthesized from p-aminoacetophenone. Their structures were confirmed by IR, 1 H NMR spectral data. The synthesized compounds were investigated for analgesic, antinflammatory and antimicrobial activities. Result: The data reported in Tables 2, 3 & 4 shows that effect of variation in chemical structure on activity was rather unpredictable. Seldom did a particular structural modification lead to uniform alteration in activity in all tests. The substitution which appeared to be most important for high order of activity in the greatest number of test was the p-choloroaryl group. The introduction of p-nitro and phydroxy group in aryl moiety of the pyrazole analogs 2c and 2e produce compounds with potent analgesic, anti-inflamatory and, in a few cases, antimicrobial properties. Conclusion: The observed increase in analgesic, anti-inflammatory and antimicrobial activities are attributed to the presence of 4-NO2 , 2-OH and 4-Cl in phenyl ring at 5-position of pyrazoline ring of synthesized compounds. In some cases their activities are equal or more potent than the standard drugs