Metal ion recognition is one of the most prospective research topics in the field of chemical sensors due to its wide range of clinical, biological and environmental applications. In this context, hydrazones are well known compounds that exhibit metal sensing and several biological properties due to the presence of N=CH- bond. Some of the biological properties includes anti-cancer, anti-tumor, anti-oxidant, anti-microbial activities.
View Article and Find Full Text PDF2-substituted thiophene compounds with electron donating and electron withdrawing p-phenyl substitution were synthesized and studied their radical scavenging properties using DPPH assay and DFT method. It is shown that p-hydroxy and p-amino phenyl substituted compound exhibit radical scavenging activity. From DFT and radical scavenging studies, a correlation between IC with the bond dissociation enthalpy, proton affinity, ground state dipole moment and optical band gap of compound is found.
View Article and Find Full Text PDFThe optical properties of various donor or acceptor -phenyl substituted ethenyl indoles were studied in solvents of varying polarity using absorption, fluorescence and TDDFT methods. Ethenyl indole exhibits non-linear optical properties (NLO) in a substituent dependent manner. Compound with a strong electron-attracting substituent, shows large NLO properties with charge transfer behavior, whereas ethenyls with moderate electron withdrawing or electron donating substituent exhibit lower NLO properties with non polar excited state.
View Article and Find Full Text PDFTwo series of diaziridinyl quinone isoxazole derivatives were prepared and evaluated for their cytotoxic activity against MCF7, HeLa, BT549, A549 and HEK293 cell lines and interaction with tubulin. Compounds (6A-M: ) showed promising activity against all the 5 human cancer cell lines. Compounds 6A: , 6E: and 6 M: were potent [IC ranging between 2.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2019
p-Phenyl ethenyl-E-furans (1-6) with varied electron donor and acceptor substituent (NO, CN, Cl, H, OCH, NH) were synthesized and studied the substituent induced optical properties (dipole moment, transition dipole moment, oscillator strength, optical band gap, hyperpolarizability) using Solvatochromism and Density functional theory. It is shown that furan acts as a weak electron donor in presence of an electron withdrawing p‑phenyl substituent (NO, CN, Cl), whereas furan acts as a weak electron acceptor in presence of an electron donating p‑phenyl substituent (OCH, NH). In comparison to ethenylfuran 4, the HOMO-LUMO energy band gap is decreased upon increasing the electron donating or electron withdrawing nature of the phenyl ring.
View Article and Find Full Text PDFVarious electron donor and acceptor substituted (NO, CN, Cl, H, OCH, NH) p-phenyl ethenyl-E- thiophenes (1-6) were synthesized and substituent dependent optical properties (dipole moment, transition dipole moment, oscillator strength, optical band gap, hyperpolarizability) were studied using Solvatochromism and Density functional theory. It is shown that thiophene acts as a weak electron donor in presence of an electron withdrawing p-phenyl substituent (NO, CN, Cl), whereas thiophene acts as a weak electron acceptor in presence of an electron donating p-phenyl substituent (OCH, NH). In comparison to ethenyl thiophene 4, the HOMO-LUMO energy band gap is decreased upon increasing the electron donating or electron withdrawing capacity of p-phenyl substituent.
View Article and Find Full Text PDFDonor-acceptor conjugated molecules with efficient light induced properties represent interesting material for electronic device application. In this context, we have calculated excited state dipole moment of three ethenyl thiophenes (1-3) bearing varied electron donor-acceptor substituent in p-phenyl unit using Lippert-Mataga, Bakhshiev and Kawski method. It is found that 1 with strong electron-withdrawing nitro substituent, is exhibiting charge transfer and highly dipolar excited state as compared to 2 and 3.
View Article and Find Full Text PDFDiacylglycerol kinase ε (DGKε) catalyzes the phosphorylation of diacylglycerol, producing phosphatidic acid. DGKε demonstrates exquisite specificity for the acyl chains of diacylglycerol. This contributes to the enrichment of particular acyl chains within the lipids of the phosphatidylinositol cycle.
View Article and Find Full Text PDFPlexins are unique, as they are the first example of a transmembrane receptor that interacts directly with small GTPases, a family of proteins that are essential for cell motility and proliferation/survival. We and other laboratories have determined the structure of the Rho GTPase-binding domain (RBD) of several plexins and also of the entire intracellular region of plexin-B1. Structures of plexin complexes with Rho GTPases, Rac1 and Rnd1, and a structure with a Ras GTPase, Rap1b, have also been solved.
View Article and Find Full Text PDFNumerous studies of donor-acceptor conjugated linear polyenes have been carried out with the goal to understand the exact nature of the excited state electronic structure and dynamics. In this article we discuss our endeavours with regard to the excited state intramolecular charge transfer, photoisomerization and fluorescence probe properties of various donor-acceptor substituted compounds of diphenylpolyene [Ar(CH = CH) Ar] series and ethenylindoles.
View Article and Find Full Text PDFPlexin transmembrane receptors and their semaphorin ligands, as well as their co-receptors (Neuropilin, Integrin, VEGFR2, ErbB2, and Met kinase) are emerging as key regulatory proteins in a wide variety of developmental, regenerative, but also pathological processes. The diverse arenas of plexin function are surveyed, including roles in the nervous, cardiovascular, bone and skeletal, and immune systems. Such different settings require considerable specificity among the plexin and semaphorin family members which in turn are accompanied by a variety of cell signaling networks.
View Article and Find Full Text PDFThe sterile alpha motif (SAM) for protein-protein interactions is encountered in over 200 proteins, but the structural basis for its interactions is just becoming clear. Here we solved the structure of the EphA2-SHIP2 SAM:SAM heterodimeric complex by use of NMR restraints from chemical shift perturbations, NOE and RDC experiments. Specific contacts between the protein surfaces differ significantly from a previous model and other SAM:SAM complexes.
View Article and Find Full Text PDFPlexin receptors regulate cell adhesion, migration, and guidance. The Rho GTPase binding domain (RBD) of plexin-A1 and -B1 can bind GTPases, including Rnd1. By contrast, plexin-C1 and -D1 reportedly bind Rnd2 but associate with Rnd1 only weakly.
View Article and Find Full Text PDFMembers of the plexin family are unique transmembrane receptors in that they interact directly with Rho family small GTPases; moreover, they contain a GTPase-activating protein (GAP) domain for R-Ras, which is crucial for plexin-mediated regulation of cell motility. However, the functional role and structural basis of the interactions between the different intracellular domains of plexins remained unclear. Here we present the 2.
View Article and Find Full Text PDFPlexin receptors function in response to semaphorin guidance cues in a variety of developmental processes involving cell motility. Interactions with Rho, as well as Ras family small GTPases are critical events in the cell signaling mechanism. We have recently determined the structure of a cytoplasmic domain (RBD) of plexin-B1 and mapped its binding interface with several Rho-GTPases, Rac1, Rnd1, and RhoD.
View Article and Find Full Text PDFThe plexin family of transmembrane receptors are important for axon guidance, angiogenesis, but also in cancer. Recently, plexin-B1 somatic missense mutations were found in both primary tumors and metastases of breast and prostate cancers, with several mutations mapping to the Rho GTPase binding domain (RBD) in the cytoplasmic region of the receptor. Here we present the NMR solution structure of this domain, confirming that the protein has both a ubiquitin-like fold and surface features.
View Article and Find Full Text PDFPlexins are the first known transmembrane receptors that interact directly with small GTPases. On binding to certain Rho family GTPases, the receptor regulates the remodeling of the actin cytoskeleton and alters cell movement in response to semaphorin guidance cues. In a joint solution NMR spectroscopy and x-ray crystallographic study, we characterize a 120-residue cytoplasmic independent folding domain of plexin-B1 that directly binds three Rho family GTPases, Rac1, Rnd1, and RhoD.
View Article and Find Full Text PDFDevelopment of bacteriorhodopsin (bR) analogues employing chromophore substitution technique for the purpose of characterizing the binding site of bR and generating bR analogues with novel opto-electronic properties for applications as photoactive element in nanotechnical devices are described. Additionally, the photophysical and photochemical properties of variously substituted diarylpolyenes as models of photobiologically relevant linear polyenes are discussed. The role of charge separated dipolar excited states in the photoprocesses of linear polyenes is highlighted.
View Article and Find Full Text PDF