Hirdyesh Mishra

Bio: Hirdyesh Mishra is an academic researcher from Banaras Hindu University. The author has contributed to research in topics: Molecular orbital & Density functional theory. The author has an hindex of 20, co-authored 65 publications receiving 1086 citations. Previous affiliations of Hirdyesh Mishra include University of Maryland, Baltimore County & Kumaun University.

Surface driven nano-morphology of poly 3-hexylthiophene film, and their photophysical, spectral and electronic traits

Abstract: The present paper compiles, the substrate driven nano-morphology of fluorescent semiconducting poly 3-hexylthiophene (P3HT) polymer films and their effects on photophysical, spectral, and electronic behaviour. Surface morphological study reveals regular long sized aggregation and large crystalline structure of polymer thin film in liquid surface grown (LSG) film as compared to hard surface grown (HSG) film. Experimentally observed and computationally simulated Raman spectra show that HJ coupling dominates in LSG film compared to HSG film. LSG film yields the structured electronic absorption and emission spectra with increased radiative decay time, in comparison to HSG film. These indicate a decrease of non-radiative transitions in LSG film and support more crystalline nature of the P3HT film as well as improve intrinsic mobility and device parameters in the sandwiched structure of Schottky diode configuration. The findings show that LSG based electronic/photonic devices have a high potential for enhanced performance at a little cost.

Examining pharmacodynamic and pharmacokinetic properties of eleven analogues of saquinavir for HIV protease inhibition

Abstract: HIV is one of the most lethal viral diseases in the human population. Patients often suffer from drug resistance, which hampers HIV therapy. Eleven different structural analogues of saquinavir (SQV), designed using ChemSketch™ and named S1 through S11, were compared with SQV with respect to their pharmacodynamic and pharmacokinetic properties. Pharmacokinetic predictions were carried out using AutoDock, and molecular docking between macromolecule HIV protease (PDB ID: 3IXO) and analogues S1 – S11 as ligands was performed. Analogues S1, S3, S4, S9 and S11 had lower binding scores when compared with saquinavir, whereas that of analogue S5 was similar. Pharmacokinetic predictions made using ACDilab2, including the Lipinski profile, general physical features, absorption, distribution, metabolism and excretion parameters, and toxicity values, for the eleven analogues and SQV suggested that S1 and S5 are pharmacodynamically and pharmacokinetically robust molecules that could be developed and established as lead molecules after in vitro and in vivo studies.

Evaluation of novel Saquinavir analogs for resistance mutation compatibility and potential as an HIV-Protease inhibitor drug.

Abstract: A fundamental issue related to therapy of HIV-1 infection is the emergence of viral mutations which severely limits the long term efficiency of the HIV-protease (HIV-PR) inhibitors. Development of new drugs is therefore continuously needed. Chemoinformatics enables to design and discover novel molecules analogous to established drugs using computational tools and databases. Saquinavir, an anti-HIV Protease drug is administered for HIV therapy. In this work chemoinformatics tools were used to design structural analogs of Saquinavir as ligand and molecular dockings at AutoDock were performed to identify potential HIV-PR inhibitors. The analogs S1 and S2 when docked with HIV-PR had binding energies of -4.08 and -3.07 kcal/mol respectively which were similar to that for Saquinavir. The molecular docking studies revealed that the changes at N2 of Saquinavir to obtain newly designed analogs S1 (having N2 benzoyl group at N1) and S2 (having 3-oxo-3phenyl propanyl group at N2) were able to dock with HIV-PR with similar affinity as that of Saquinavir. Docking studies and computationally derived pharmacodynamic and pharmacokinetic properties׳ comparisons at ACD/I-lab establish that analog S2 has more potential to evade the problem of drug resistance mutation against HIV-1 PR subtype-A. S2 can be further developed and tested clinically as a real alternative drug for HIV-1 PR across the clades in future.

Excited-State Dynamics of Quinine Sulfate and Its Di-Cation Doped in Polyvinyl Alcohol Thin Films Near Silver Nanostructure Islands.

Abstract: The present study demonstrates the near-field effect of silver nanostructure island films (SNIFs) on the photophysics and exited-state dynamics of quinine sulphate (QS) and its di-cation (QSD), dop...

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Abstract: 抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

Principles Of Fluorescence Spectroscopy

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The unique role of nanoparticles in nanomedicine: imaging, drug delivery and therapy

Abstract: This critical review will present the role of nanoparticles (NPs) in the directions that are vital to the new field of nanomedicine, including imaging and drug delivery. We reflect on the physical properties that make NPs advantageous for in vivo efficacy, and review recent advances in major NP based biomedical applications. Critical questions of transport, uptake, and clearance will be discussed and illustrated through the success and opportunities of NP imaging and therapy on a photodynamic therapy (PDT) based NP system that has been developed in our lab over the past decade (540 references).

Hybrid materials based on lanthanide organic complexes: a review

Abstract: A great deal of research has been carried out on lanthanide organic complex-based organic-inorganic hybrid materials in the last decade. This critical review begins with a formulation of the fundamentals of lanthanide organic complex luminescence, and presents various current designed ideas, synthetic routes, luminescence behaviors and potentials of the latest advanced (a) sol-gel materials, (b) mesoporous materials, (c) titania materials, (d) ionic liquids and ionogels, (e) polymers, and (f) bifunctional magnetic-optical composites based on lanthanide organic complexes. Finally, challenges and opportunities for further improvement of organic-inorganic hybrid luminescent materials based on lanthanide organic complexes will be discussed.