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1.
Anil Kumar Marapaka Priyanka Sankoju Guozhen Zhang Yongzheng Ding Chunhua Ma Vijaykumar Pillalamarri Renu Sudhakar Bharati Reddi Puran Singh Sijwali Yingjie Zhang Anthony Addlagatta 《中国化学快报》2022,33(5):2550-2554
Plasmodium parasites causing malaria have developed resistance to most of the antimalarials in use, including the artemisinin-based combinations, which are the last line of defense against malaria. This necessitates the discovery of new targets and the development of novel antimalarials. Plasmodium falciparum alanyl aminopeptidase(PfA-M1) and leucyl aminopeptidase(PfA-M17) belong to the M1 and M17 family of metalloproteases respectively and play critical roles in the asexual erythrocytic stage o... 相似文献
2.
Some bouncing models are investigated in the framework of an extended theory of gravity. The extended gravity model is a simple extension of the General Relativity where an additional matter geometry coupling is introduced to account for the late time cosmic speed up phenomena. The dynamics of the models are discussed in the background of a flat FRW universe. Some viable models are reconstructed for specifically assumed bouncing scale factors. The behavior of the models are found to be decided mostly by the parameters of the respective models. The extended gravity based minimal matter-geometry coupling parameter has a role to remove the omega singularity occurring at the bouncing epoch. It is noted that the constructed models violate the energy conditions, however, in some cases this violation leads to the evolution of the models in phantom phase. The stability of the models are analyzed under linear homogeneous perturbations and it is found that, near the bounce, the models show instability but the perturbations decay out smoothly to provide stable models at late times. 相似文献
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Dr. A. Suresh Kumar Dr. Guguloth Thirupathi G. Surendra Reddy Prof. Dr. Dhevalapally B. Ramachary 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(5):1177-1183
An ideal stereoselective insertion of in situ generated benzynes into lawsones through domino formal [2+2]-cycloaddition followed by rearrangement is disclosed. The reaction allowed for the preparation of biologically important benzannulated bicyclo[3.3.0]octanes in good yields and with excellent selectivities by using simple substrates and conditions. 相似文献
6.
Using first principles density functional theory, we predict a monolayer B2Si structure with space group Pmm2 in the present work. This structure is confirmed to be dynamically stable. Based on the plane wave pseudopotential approach, the charge density, electron localization function, density of states, energy band, phonon property and thermal conductivity of Pmm2-B2Si are systematically studied. It is interesting that the sp2 hybridization and coordination bond of Si are found in Pmm2-B2Si, which is the most important factor for its structural stability. The density of states and energy band analysis reveals that Pmm2-B2Si is metallic because of the partial occupied Si 3pz and B 2pz states. Moreover, the acoustic-optical coupling is important for phonon transport in Pmm2-B2Si, and the contribution of optical modes to the lattice thermal conductivity along the [100] and [010] directions is 13% and 12%, respectively. This study gives a fundamental understanding of the structural, electronic and phonon properties in Pmm2-B2Si. 相似文献
7.
Computational quantum chemical study and biological evaluation of a synthesized novel sulfur heterocyclic thiophene derivative containing 1,2,3-triazole and pyridine moieties namely BTPT [2-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-6-methoxy-4-(thiophen-2-yl) pyridine] was presented in this study. The crystal structure was determined by SCXRD method. For the title compound BTPT, spectroscopic characterization like 1H NMR, 13C NMR, FTIR, UV–vis were carried out theoretically by computational DFT method and compared with experimental data. Druglikeness parameters of BTPT were found through in silico pharmacological ADMET properties estimation. The molecular docking investigation was performed with human topoisomerase IIα (PDB ID:1ZXM) targeting ATP binding site. In vitro cytotoxicity activity of BTPT/doxorubicin were examined by MTT assay procedure against three human cancer cell lines A549, PC-3, MDAMB-231 with IC50 values of 0.68/0.70, 1.03/0.77 and 0.88/0.98 μM, respectively. Our title compound BTPT reveals notable cytotoxicity against breast cancer cell (MDAMB-231), moderate activity with human lung cancer cell (A-549) and less inhibition with human prostate cancer cell (PC-3) compared to familiar cancer medicine doxorubicin. From the results, BTPT could be observed as a potential candidate for novel anticancer drug development process. 相似文献
8.
Jilloju Parameshwara Chary Persoons Leentje Kurapati Sathish Kumar Schols Dominique De Jonghe Steven Daelemans Dirk Vedula Rajeswar Rao 《Molecular diversity》2022,26(3):1357-1371
A new series of (?±)-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanones were efficiently synthesized starting from 4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol 1, acetyl acetone 2, various aromatic and heterocyclic aldehydes 3 and phenacyl bromides 4. All the newly synthesized compounds were tested for their antiviral and antitumoral activity. It was shown that subtle structural variations on the phenyl moiety allowed to tune biological properties toward antiviral or antitumoral activity. Mode-of-action studies revealed that the antitumoral activity was due to inhibition of tubulin polymerization.
Graphic abstract 相似文献9.
Russian Journal of Organic Chemistry - A series of novel 1,2,3-triazole-tethered 2-pyridinylbenzimidazole derivatives have been synthesized form 2-(pyridine-3-yl)benzimidazole under microwave... 相似文献
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