Jianwu Wang

Central South University

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Guilong Zhao

Shanghai Institute of Materia Medica

Jiong Jia

Shandong University

Weiren Xu

Tianjin Institute of Pharmaceutical Research (China)

Zhenghu Xu

Shandong University

Yanqing Ge

Taishan Medical University

Tang Li-da

Jiangsu University

Chuanling Song

Shandong Institute of Commerce & Technology

Guiyun Duan

Taishan Medical University

Chen‐Ho Tung

Technical Institute of Physics and Chemistry

Datong Zhang

Hangzhou DAC Biotech (China)

Cooperative Institutions

Shandong University

Chinese Academy of Sciences

University of Chinese Academy of Sciences

Central South University

Peking University

State Council of the People's Republic of China

Tianjin Institute of Pharmaceutical Research (China)

Beijing National Laboratory for Molecular Sciences

Institute of Chemistry

State Key Laboratory of Crystal Materials

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Bis(benzimidazol-2-yl)methane

Acta Crystallographica Section E Structure Reports Online (2005)

Guiyun Duan Yawei Sun Junzhi Liu Jianwu Wang

In the title molecule, C15H12N4, the two essentially planar benzimidazolyl moieties make a dihedral angle of 63.53 (2)°. Intermolecular N—H⋯N hydrogen bonds stabilize the crystal packing.

Dihedral angle

Crystal (programming language)

10.1107/s1600536805030229

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Citations (2)

ChemInform Abstract: Synthesis of Nitrogen Bridgehead Heterocycles with Phosphonates via a Novel Tandem Process.

ChemInform (2013)

Xie Yafei Yanqing Ge Lei Feng Huaqiang Xu Song Meng

10.1002/chin.201331170

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ChemInform Abstract: Thiadiazole‐Based Thioglycosides as Sodium‐Glucose Co‐Transporter 2 (SGLT2) Inhibitors.

ChemInform (2010)

Yunlong Gao Guilong Zhao Wei Liu Yuli Wang Weiren Xu

Abstract A series of 16 thiadiazole‐based thioglycosides of type (IV) or (VI) are prepared and tested in vivo as sodium‐glucose co‐transporter 2 (SGLT2) inhibitors.

10.1002/chin.201036195

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COMPUTATIONAL STUDY OF THE DYNAMICS OF PEPTIDE DEFORMYLASE COMPLEX FROM LEPTOSPIRA INTERROGANS: EXPLORING THE CONFORMATIONAL CHANGES OF THE SUBSTRATE POCKET

Journal of Theoretical and Computational Chemistry (2008)

Qiang Wang Jianwu Wang Zhengting Cai Weiren Xu

The peptide deformylase from Leptospira interrogans (LiPDF) shows many unusual characteristics. The substrate pocket of formate-bound complex adopts an open conformation. However, in the actinonin-bound LiPDF complex, a slightly open substrate pocket is observed. The opening is not large enough for the inhibitor, because the CD-loop restricts the access to the active site. To explore the conformational changes of the substrate pocket, we perform a 16,000 ps molecular dynamics simulation separately on the ligand-free LiPDF and actinonin-bound LiPDF. During the molecular dynamics simulations, extensive conformational changes have taken place. The comparison of the two MD results shows that the CD-loop, hydrophilic inhibitor, and hydrophobic cluster are necessary for the reopening of the substrate pocket. In addition, Tyr71 plays an important role in mediating the movements of CD-loop, and the transition of the substrate pocket from open to semi-open only occurs in the presence of an inhibitor, which are consistent with the experiment very well.

Conformational change

Dynamics

10.1142/s0219633608004301

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Concise Synthesis and Antimicrobial Activities of New Substituted 5‐Isoxazolpenicillins

Journal of the Chinese Chemical Society (2007)

Xizhao Wang Jiong Jia Yan Zhang Weiren Xu Wei Liu

Abstract The synthesis of a series of new 5‐isoxazolpenicillins is described, which were obtained by coupling substituted isoxazoles with 6‐APA. Concise large‐scale synthesis of 3,5‐disubstituted isoxazoles by 1,3‐dipolar cycloaddition using copper(I) as catalyst was also investigated. Representative compounds were assayed for antimicrobial activities, showing satisfactory antimicrobial activities against Gram‐negative bacteria.

Gram

10.1002/jccs.200700092

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Citations (7)

Crystal structure of bis(4-bromophenylaminium) tetraiodoplumbate(II), (BrC6H4NH3)2PbI4

Zeitschrift für Kristallographie - New Crystal Structures (2009)

Hongxia Dai Zhi Liu Jiandong Fan Jianwu Wang Xutang Tao

Crystal (programming language)

10.1524/ncrs.2009.0066

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Citations (3)

4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside

Acta Crystallographica Section E Structure Reports Online (2006)

Yan Zhang Guilong Zhao Xizhao Wang Jiong Jia Jianwu Wang

The six-membered sugar ring of the title compound, C21H26O11, adopts a chair conformation. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds and van der Waals forces.

Tetra

10.1107/s1600536806018988

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An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle

Organic Chemistry Frontiers (2015)

Shuo Zhang Ying Chen Jianwu Wang Yue Pan Zhenghu Xu

A copper-catalyzed cyclization/iodination reaction from propargylic amides to access gem-diiodoolefins and (E)-iodoalkenes has been developed.

10.1039/c5qo00043b

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Citations (22)

Ethyl 3-{5-[(diethylamino)methyl]isoxazol-3-yl}-2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate

Acta Crystallographica Section E Structure Reports Online (2010)

Qing-Yang Meng Jiong Jia Ling Yin Fuxu Zhan Jianwu Wang

In the title compound, C(24)H(26)N(4)O(3), the pyrazolo[1,5-a]pyridine ring system makes dihedral angles of 38.130 (3) and 30.120 (3)°, respectively, with the isoxazole and phenyl rings. In the crystal, two mol-ecules are linked by a pair of C-H⋯N hydrogen bonds, forming a centrosymmetric dimer. A weak intra-molecular C-H⋯O inter-action is also present.

Isoxazole

Dihedral angle

Carboxylate

10.1107/s1600536810004174

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Citations (1)

Synthesis and preliminary antibacterial evaluation of hydroxamic acid and N-formyl hydroxylamine derivatives bearing oxazole ring

Medicinal Chemistry Research (2012)

Datong Zhang Lingyan Huo Laichun Lu Qiong Yu Jianwu Wang

Oxazole

Hydroxylamine

Hydroxamic acid

Hydroxylamine Hydrochloride

Isoxazole

10.1007/s00044-012-0141-8

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Citations (2)