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排序方式: 共有263条查询结果,搜索用时 15 毫秒
1.
Shubhandra Tripathi Akhil Kumar B. Sathish Kumar Arvind S. Negi 《Journal of biomolecular structure & dynamics》2016,34(6):1232-1240
Microtubule stabilizers provide an important mode of treatment via mitotic cell arrest of cancer cells. Recently, we reported two novel neolignans derivatives Cmp10 and Cmp19 showing anticancer activity and working as microtubule stabilizers at micromolar concentrations. In this study, we have explored the binding site, mode of binding, and stabilization by two novel microtubule stabilizers Cmp10 and Cmp19 using in silico molecular docking, molecular dynamics (MD) simulation, and binding free energy calculations. Molecular docking studies were performed to explore the β-tubulin binding site of Cmp10 and Cmp19. Further, MD simulations were used to probe the β-tubulin stabilization mechanism by Cmp10 and Cmp19. Binding affinity was also compared for Cmp10 and Cmp19 using binding free energy calculations. Our docking results revealed that both the compounds bind at Ptxl binding site in β-tubulin. MD simulation studies showed that Cmp10 and Cmp19 binding stabilizes M-loop (Phe272-Val288) residues of β-tubulin and prevent its dynamics, leading to a better packing between α and β subunits from adjacent tubulin dimers. In addition, His229, Ser280 and Gln281, and Arg278, Thr276, and Ser232 were found to be the key amino acid residues forming H-bonds with Cmp10 and Cmp19, respectively. Consequently, binding free energy calculations indicated that Cmp10 (?113.655 kJ/mol) had better binding compared to Cmp19 (?95.216 kJ/mol). This study provides useful insight for better understanding of the binding mechanism of Cmp10 and Cmp19 and will be helpful in designing novel microtubule stabilizers. 相似文献
2.
Liparis indiraii spec. nova from India is close toL. alata
A. Rich. andL. atropurpurea
Lindl. 相似文献
3.
Nripendra Vikram Singh Shilpa Parashuram Jyotsana Sharma Roopa Sowjanya Potlannagari Dhinesh Babu Karuppannan Ram Krishna Pal Prakash Patil Dhananjay M. Mundewadikar Vipul R. Sangnure P.V. Parvati Sai Arun Naresh V.R. Mutha Bipin Kumar Abhishek Tripathi Sathish Kumar Peddamma Harish Kothandaraman Sailu Yellaboina Dushyant Singh Baghel Umesh K. Reddy 《Saudi Journal of Biological Sciences》2020,27(12):3514-3528
4.
Venkatasamy Vignesh Durairaj Rajesh Karuppaiah Parthiban Sridhar Arun Kamaraj Sathish Kumar Ramasamy Thirumurugan 《International journal of peptide research and therapeutics》2021,27(3):1709-1718
International Journal of Peptide Research and Therapeutics - Subtilosin A, a cyclic peptide from Bacillus subtilis is known for its antimicrobial activity against a diverse range of bacteria.... 相似文献
5.
Sathish Kumar Rabi Raja Singh Henry Finlay Godson Retna Ponmalar Paul Ravindran Sunil Dutt Sharma Subhashini John 《Reports of Practical Oncology and Radiotherapy》2021,26(1):93
BackgroundThe purpose of this study was to investigate the feasibility of MOSFET dosimeter in measuring eye dose during 2D MV portal imaging for setup verification in radiotherapy.Materials and methodsThe in-vivo dose measurements were performed by placing the dosimeters over the eyes of 30 brain patients during the acquisition of portal images in linear accelerator by delivering 1 MU with the field sizes of 10 × 10 cm2 and 15 × 15 cm2.ResultsThe mean doses received by the left and right eyes of 10 out of 30 patients when both eyes were completely inside the anterior portal field were found to be 2.56 ± 0.2 cGy and 2.75 ± 0.2, respectively. Similarly, for next 10 patients out of the same 30 patients the mean doses to left and right eyes when both eyes were completely out of the anterior portal fields were found to be 0.13 ± 0.02 cGy and 0.17 ± 0.02 cGy, respectively. The mean doses to ipsilateral and contralateral eye for the last 10 patients when one eye was inside the anterior portal field were found to be 3.28 ± 0.2 cGy and 0.36 ± 0.1 cGy, respectively.ConclusionThe promising results obtained during 2D MV portal imaging using MOSFET have shown that this dosimeter is well suitable for assessing low doses during imaging thereby enabling to optimize the imaging procedure using the dosimetric data obtained. In addition, the documentation of the dose received by the patient during imaging procedure is possible with the help of an in-built software in conjunction with the MOSFET reader module. 相似文献
6.
Karthik Sivabalan Pavan Gadamchetty Prasanth Arumugam Sathish Selvam Appunu Chinnaswamy Manickavasagam Markandan 《In vitro cellular & developmental biology. Plant》2021,57(2):190-201
In Vitro Cellular & Developmental Biology - Plant - Production of transformed bitter gourd plants through in vitro regeneration is a laborious practice, which may also result in somaclonal... 相似文献
7.
Kamala L. Kumar B. Sathish Lakshmi P. V. Anantha 《Russian Journal of Bioorganic Chemistry》2021,47(1):166-173
Russian Journal of Bioorganic Chemistry - A series of novel carbazol-thiazolidinedione hybrid derivatives were designed, synthesised and screened for antimicrobial activity against gram-positive... 相似文献
8.
Natarajan Nandhakumar Sundararajan Sathish Suresh C. P. Ramalingam Sathishkumar 《Plant Cell, Tissue and Organ Culture》2020,143(2):485-485
Plant Cell, Tissue and Organ Culture (PCTOC) - This article has been retracted. Please see the retraction notice for more detail: https://doi.org/10.1007/s11240-020-01912-4 相似文献
9.
Pawan K. Vohra Michael A. Thompson Venkatachalem Sathish Alexander Kiel Calvin Jerde Christina M. Pabelick Brij B. Singh Y.S. Prakash 《Biochimica et Biophysica Acta (BBA)/Molecular Cell Research》2013,1833(12):2953-2960
Exogenous brain-derived neurotrophic factor (BDNF) enhances Ca2 + signaling and cell proliferation in human airway smooth muscle (ASM), especially with inflammation. Human ASM also expresses BDNF, raising the potential for autocrine/paracrine effects. The mechanisms by which ASM BDNF secretion occurs are not known. Transient receptor potential channels (TRPCs) regulate a variety of intracellular processes including store-operated Ca2 + entry (SOCE; including in ASM) and secretion of factors such as cytokines. In human ASM, we tested the hypothesis that TRPC3 regulates BDNF secretion. At baseline, intracellular BDNF was present, and BDNF secretion was detectable by enzyme linked immunosorbent assay (ELISA) of cell supernatants or by real-time fluorescence imaging of cells transfected with GFP–BDNF vector. Exposure to the pro-inflammatory cytokine tumor necrosis factor-alpha (TNFα) (20 ng/ml, 48 h) or a mixture of allergens (ovalbumin, house dust mite, Alternaria, and Aspergillus extracts) significantly enhanced BDNF secretion and increased TRPC3 expression. TRPC3 knockdown (siRNA or inhibitor Pyr3; 10 μM) blunted BDNF secretion, and prevented inflammation effects. Chelation of extracellular Ca2 + (EGTA; 1 mM) or intracellular Ca2 + (BAPTA; 5 μM) significantly reduced secreted BDNF, as did the knockdown of SOCE proteins STIM1 and Orai1 or plasma membrane caveolin-1. Functionally, secreted BDNF had autocrine effects suggested by phosphorylation of high-affinity tropomyosin-related kinase TrkB receptor, prevented by chelating extracellular BDNF with chimeric TrkB-Fc. These data emphasize the role of TRPC3 and Ca2 + influx in the regulation of BDNF secretion by human ASM and the enhancing effects of inflammation. Given the BDNF effects on Ca2 + and cell proliferation, BDNF secretion may contribute to altered airway structure and function in diseases such as asthma. 相似文献
10.
Discovery of a small-molecule inhibitor and cellular probe of Keap1–Nrf2 protein–protein interaction
Longqin Hu Sadagopan Magesh Lin Chen Lili Wang Timothy A. Lewis Yu Chen Carol Khodier Daigo Inoyama Lesa J. Beamer Thomas J. Emge Jian Shen John E. Kerrigan Ah-Ng Tony Kong Sivaraman Dandapani Michelle Palmer Stuart L. Schreiber Benito Munoz 《Bioorganic & medicinal chemistry letters》2013,23(10):3039-3043
A high-throughput screen (HTS) of the MLPCN library using a homogenous fluorescence polarization assay identified a small molecule as a first-in-class direct inhibitor of Keap1–Nrf2 protein–protein interaction. The HTS hit has three chiral centers; a combination of flash and chiral chromatographic separation demonstrated that Keap1-binding activity resides predominantly in one stereoisomer (SRS)-5 designated as ML334 (LH601A), which is at least 100× more potent than the other stereoisomers. The stereochemistry of the four cis isomers was assigned using X-ray crystallography and confirmed using stereospecific synthesis. (SRS)-5 is functionally active in both an ARE gene reporter assay and an Nrf2 nuclear translocation assay. The stereospecific nature of binding between (SRS)-5 and Keap1 as well as the preliminary but tractable structure–activity relationships support its use as a lead for our ongoing optimization 相似文献