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排序方式: 共有297条查询结果,搜索用时 15 毫秒
241.
Martin Oliver Laurent Le Corre Mlanie Poinsot Michaël Bosco Hongwei Wan Ana Amoroso Bernard Joris Ahmed Bouhss Sandrine Calvet-Vitale Christine Gravier-Pelletier 《Molecules (Basel, Switzerland)》2022,27(6)
New inhibitors of the bacterial tranferase MraY are described. Their structure is based on an aminoribosyl uridine scaffold, which is known to be important for the biological activity of natural MraY inhibitors. A decyl alkyl chain was introduced onto this scaffold through various linkers. The synthesized compounds were tested against the MraYAA transferase activity, and the most active compound with an original (S,S)-tartaric diamide linker inhibits MraY activity with an IC50 equal to 0.37 µM. Their antibacterial activity was also evaluated on a panel of Gram-positive and Gram-negative strains; however, the compounds showed no antibacterial activity. Docking and molecular dynamics studies revealed that this new linker established two stabilizing key interactions with N190 and H325, as observed for the highly potent inhibitors carbacaprazamycin, muraymycin D2 and tunicamycin. 相似文献
242.
Dorothe Bardiot Laura Vangeel Mohamed Koukni Philippe Arzel Marleen Zwaagstra Heyrhyoung Lyoo Patrick Wanningen Shamshad Ahmad Linlin Zhang Xinyuanyuan Sun Adrien Delpal Cecilia Eydoux Jean-Claude Guillemot Eveline Lescrinier Hugo Klaassen Pieter Leyssen Dirk Jochmans Karolien Castermans Rolf Hilgenfeld Colin Robinson Etienne Decroly Bruno Canard Eric J. Snijder Martijn J. van Hemert Frank van Kuppeveld Patrick Chaltin Johan Neyts Steven De Jonghe Arnaud Marchand 《Molecules (Basel, Switzerland)》2022,27(3)
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative agent of COVID-19, has led to a pandemic, that continues to be a huge public health burden. Despite the availability of vaccines, there is still a need for small-molecule antiviral drugs. In an effort to identify novel and drug-like hit matter that can be used for subsequent hit-to-lead optimization campaigns, we conducted a high-throughput screening of a 160 K compound library against SARS-CoV-2, yielding a 1-heteroaryl-2-alkoxyphenyl analog as a promising hit. Antiviral profiling revealed this compound was active against various beta-coronaviruses and preliminary mode-of-action experiments demonstrated that it interfered with viral entry. A systematic structure–activity relationship (SAR) study demonstrated that a 3- or 4-pyridyl moiety on the oxadiazole moiety is optimal, whereas the oxadiazole can be replaced by various other heteroaromatic cycles. In addition, the alkoxy group tolerates some structural diversity. 相似文献
243.
Won-Je Kim Woo Sung Son Kyoung-Seok Ryu Seung-Kyu Lee Kwang-Hyun Choi Jong-Sun Lee Bong-Jin Lee 《科学通报(英文版)》2014,59(32):4274-4282
Potent inhibitors of human peptide deformylase (HsPDF) were screened using known PMT analog inhibi- tors of bacterial peptide deformylase. Forty-three species of PMT analogs that are non-peptidyl bacterial PDF inhibitors like actinonin were selected using virtual screening GOLD. Ten species out of 43 that could bind to HsPDF were selected and their antitumor activities were tested. Among them, four species (PMT-172, PMT-173, PMT-199, and PMT-201) showed excellent growth inhibition of cancer cell in the MTT assay. HsPDF-PMT binding was confirmed through a 1H-CPMG-T2 filter NMR experiment leading to a significant change in peak intensity for PMT-172 and PMT-199. These results suggest that PMT analogs could possibly interact with HsPDF and be a novel anticancer drug candidate. 相似文献
244.
Shoaib Khan Shahid Iqbal Muhammad Taha Fazal Rahim Mazloom Shah Hayat Ullah Ali Bahadur Hamad Alrbyawi Ayed A. Dera Mohammed Issa Alahmdi Rami Adel Pashameah Eman Alzahrani Abd-ElAziem Farouk 《Molecules (Basel, Switzerland)》2022,27(21)
The current study was conducted to obtain hybrid analogues of indole-based thiadiazole derivatives (1–16) in which a number of reaction steps were involved. To examine their biological activity in the presence of the reference drug Donepezil (0.21 ± 0.12 and 0.30 ± 0.32 M, respectively), the inhibitory potentials of AChE and BuChE were determined for these compounds. Different substituted derivatives showing a varied range of inhibitory profiles, when compared to the reference drug, analogue 8 was shown to have potent activity, with IC50 values for AchE 0.15 ± 0.050 M and BuChE 0.20 ± 0.10, respectively, while other substituted compounds displayed good to moderate potentials. Varied spectroscopic techniques including 1H, 13CNMR and HREI-MS were used to identify the basic skeleton of these compounds. Furthermore, all analogues have a known structure–activity relationship (SAR), and molecular docking investigations have verified the binding interactions of molecule to the active site of enzymes. 相似文献
245.
246.
HU Hong-Liang XIN Zi-Hua LIU Wei-Jie 《理论物理通讯》2008,49(4):1059-1063
The magnetic behavior of the mixed
ferro-ferrimagnetic alloy with
(Aa Bb
Cc)y D structure composed of Ising spins
SA=1, SB=5/2,
SC=2, and SD=3/2 in the presence of the external magnetic field is investigated by the use of the effective field theory. The role of concentration b is discussed in this system in detail. Results show that for a=0.4, only when the concentration b is in
the region 0.60≥b>0.34 can the ferrimagnetic behavior be seen.
Otherwise, the alloy shows ferromagnetic behavior. 相似文献
247.
Roberto Romeo Salvatore V. Giofr Maria A. Chiacchio Lucia Veltri Consuelo Celesti Daniela Iannazzo 《Molecules (Basel, Switzerland)》2021,26(6)
A series of azastilbene derivatives, characterized by the presence of the 1,2,4-oxadiazole-5-one system as a linker of the two aromatic rings of stilbenes, have been prepared as novel potential inhibitors of p38 MAPK. Biological assays indicated that some of the synthesized compounds are endowed with good inhibitory activity towards the kinase. Molecular modeling data support the biological results showing that the designed compounds possess a reasonable binding mode in the ATP binding pocket of p38α kinase with a good binding affinity. 相似文献
248.
Published data on the use of protecting groups in the synthesis of purine derivatives are reviewed and classified.
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 3–34, January, 2009. 相似文献
249.
250.
Leonid G. Voskressensky Svetlana Kovaleva Tatiana N. Borisova Alexandr B. Eresko Valery S. Tolkunov Sergey V. Tolkunov 《合成通讯》2013,43(22):3337-3343
A novel domino reaction of tetrahydrobenzofuro[3,2-c] or [2,3-c]pyridines with dimethylacetylene dicarboxylate (DMAD) or methyl propiolate (MP) resulted in the formation of spirobenzofuranpyridines in moderate yields. The spirobenzofuran derivatives reported may be considered analogs of the antifungal drug griseofulvin. 相似文献