Molprint 2D-Based Identification and Synthesis of Novel Chromene Based Small Molecules that Target Pla2: Validation through Chemo-And Bioinformatics Approaches

Phospholipase A2 (PLA2) is known to regulate inflammation and hence it is considered as a validated drug-target by medicinal chemists. In this report, we have identified and considered a highly ranked ligand from the ZINC-drug-like compounds database that targets PLA2 via the MOLPRINT-2D based chemoinformatics drug-design approach. The computationally predicted lead molecule was found to contain a core moiety of a chromene ring, which is well known for its varied biological properties. Here, a novel and efficient retro-synthetic protocol for the synthesis of highly substituted chromene libraries was made. A one-pot synthesis of chromene was carried out using different aromatic primary alcohols, malononitrile and 4-hydroxy coumarin in the presence of a mild oxidant mixture called T3P®–DMSO, followed by a Suzuki coupling reaction to obtain the lead molecules. All of the tested compounds of the chromene series displayed inhibition of the venom PLA2 in the range of 12 to 68 μM. Among the tested compounds, 2-amino-4-(2′-methyl-[1,1′-biphenyl]-4-yl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile (7b) showed maximum inhibitory efficacy against venom PLA2 with an IC50 value of 12.5 μM. Furthermore, the designed PLA2 ligands bound to the active site of venom PLA2, whose binding affinity was comparable to nimesulide, indicating that the chromene moiety containing ligands could be novel lead-structures that serve as anti-inflammatory agents

DIFFERENTIAL DISEASE REACTION OF RICE PATHOGEN XANTHOMONAS ORYZAE PV. ORYZAE PREVAILING IN INDIA ON RICE CULTIVARS

In the present study, the virulence of Xanthomonas oryzae pv. oryzae (Xoo) causing bacterial blight disease in rice was analyzed using 200 isolates of Xoo on near isogenic lines (NILs) and rice differentials having single or different gene combinations at field condition. These isolates were assembled from major rice growing areas of Punjab, Haryana, Uttar Pradesh, Bihar, West Bengal, Odisha, Andhra Pradesh, Tamilnadu and Kerala state. From these isolates, 20 pathotypes (races) on NILs and 12 pathotypes on rice differentials were identified based on disease reaction. In this analysis, more number of pathotypes were identified in Bihar state (10 pathotypes) followed by Uttar Pradesh (7 pathotypes), Haryana, West Bengal, Andhra Pradesh, Kerala (6 pathotypes), Odisha (4 pathotypes), Punjab (3 pathotypes) and Tamilnadu (2 pathotypes). Among these, pathotype I was virulent to all rice cultivar harbouring single resistant gene (Xa4, xa5, Xa7, Xa10 and xa13) and it was found to be prevalent throughout India. Significantly, isolates of pathotype III prevailing in Haryana state were noted that they breakdown the resistance of IRBB21 (Xa21) and IRBB52 (Xa4+Xa21). Thus, in this analysis, data clearly is revealed that almost all the isolates were able to overcome only those NILs which harbored a single resistant gene (i.e. IRRB4) or two gene (i.e. IRBB52/DV85) for BB resistance and not those NILs (i.e. IRBB57-IRBB60) which harbored either a 3-gene/4-gene combinations

Z-scheme configured iron oxide/g-C3N4 nanocomposite system for solar-driven H2 production through water splitting

A nanocomposite composed of α-Fe2O3/g-C3N4 is synthesized using a modified ultrasonication approach, which engineered a robust interfacial contact in the system. Phase formation and morphological features are confirmed via XRD and electron-microscopy techniques. XPS revealed the native oxidation states of the elements and chemisorption-mediated interactions in the system. This developed composite produced hydrogen at a rate of 1494 μmolg− 1 h− 1, which is around 6.6 times higher than the g-C3N4 system. The observed enhancement is attributed to the Z-scheme configuration, leading to the suitable band edge alignments, charge separation and extended lifetime of the carriers in the composite

Design, development and characterization of variable reluctance ferrofluid pump

The objective of this paper is to design and implement a ferrofluid pump actuated by switched magnetic field. The pump works on the principle of variable reluctance behavior of ferrofluid in an external magnetic field. A brief experiment to understand dynamic nature of magnetic flux density in a ferrofluid column is conducted. Variable reluctance phenomenon in the ferrofluid column is analyzed. Design and implementation details of two different structures of ferrofluid pump are discussed, namely single phase pump and two phase pump. Equivalent electrical circuit models of the pumps are developed based on hydraulic-electric analogy. Simulations and experiments are conducted and the results are compared. The designed pump is capable of pumping the ferrofluid at a rate of 84 A mu l/s with zero discharge head and a maximum flow rate of 56 A mu l/s is achieved with a discharge head of 120 mm