Majee, Prativa Jain, Neha Kumar, Amit
Published in
Journal of biomolecular structure & dynamics
Nipah virus (NPV) is one of the most notorious viruses with a very high fatality rate. Because of the recurrent advent of this virus and its severe neurological implications, often leading to high mortality, the WHO R&D Blueprint, 2018 has listed the Nipah virus as one of the emerging infectious diseases requiring urgent research and development ef...
Gupta, Manoj Kumar Vadde, Ramakrishna
Published in
Journal of biomolecular structure & dynamics
Type 2 diabetes (T2D) is clinically characterized via hyperglycemia. Polymorphism rs5219 in the KCNJ11 gene is a risk factor for developing T2D in humans. KCNJ11 encodes the 'inward-rectifier potassium ion channel (Kir6.2)'. However, because of the absence of the complete crystal/NMR structures of Kir6.2 proteins, insight into its structure and fun...
Chandra, Anshuman Goyal, Nainee Qamar, Imteyaz Singh, Nagendra
Published in
Journal of biomolecular structure & dynamics
Serine-arginine protein kinase-1 (SRPK1) is a highly specific kinase that recognizes serine-arginine dipeptide repeats and phosphorylates SR rich splicing factor ASF/SF2 in a cell-cycle regulated manner. SRPK1 processively phosphorylates serine residues on its substrate ASF/SF2. Elevated expression pattern of both SRPK1 and ASF/SF2 and their associ...
Xu, Heng Tang, Zhengkuan Zuo, Yu Xiong, Fengmin Chen, Kaixian Jiang, Hualiang Luo, Cheng Zhang, Hao
Published in
Journal of biomolecular structure & dynamics
Inhibitor of apoptosis proteins (IAPs) are important regulators of apoptosis, and protein targets for the development of anti-cancer drugs. Cellular inhibitor of apoptosis protein-1 (cIAP1) is an important member of IAPs. Peptides or small-molecular antagonists can induce the dimerization, auto-ubiquitination, and proteasomal degradation of the cel...
Li, Jianling Feng, Huajie Liu, Rongqiang Ding, Guohua Si, Hongzong He, Wenying Sun, Zhenfan
Published in
Journal of biomolecular structure & dynamics
A newly synthesized compound, ethyl 5-phenyl-2-(p-tolyl)-2H-1, 2, 3-triazole-4-carboxylate (EPPC) may be considered as a drug candidate and was exploited to study the structural and spectral properties by using quantum chemical calculation and multiple spectroscopic techniques. The results on theoretical spectrum of EPPC were consistent with experi...
Mu, Yunsong Yang, Mingru Li, Huixian Wu, Fengchang Luo, Si
Published in
Journal of biomolecular structure & dynamics
Communicated by Ramaswamy H. Sarma.
Redwan, Elrashdy M Alkarim, Saleh A El-Hanafy, Amr A Saad, Yasser M Almehdar, Hussein A Uversky, Vladimir N
Published in
Journal of biomolecular structure & dynamics
Milk fat globules (MFGs), which are secreted by the epithelial cells of the lactating mammary glands, account for the most of the nutritional value of milk. They are enveloped by the milk fat globule membrane (MFGM), a complex structure consisting of three phospholipid membrane monolayers and containing various lipids. Depending on the origin of mi...
Shiri, Farshad Hadidi, Saba Rahimi-Nasrabadi, Mehdi Ahmadi, Farhad Ganjali, Mohammad Reza Ehrlich, Hermann
Published in
Journal of biomolecular structure & dynamics
The study is focused on the synthesis of a novel complex of ibuprofen and Platinum(II). The formation of the product was characterized through analytical tools including Fourier-transform infrared spectroscopy, proton nuclear magnetic resonance, ultraviolet-visible spectroscopy, mass spectrometry as well as density functional theory. Using the cont...
Ghosh, Tapas Sarkar, Sarita Bhattacharjee, Paromita Jana, Gopal Chandra Hossain, Maidul Pandya, Prateek Bhadra, Kakali
Published in
Journal of biomolecular structure & dynamics
The work highlighted interaction of harmalol, harmaline and harmine with human serum albumin by biophysical and biochemical assays. Presence of serum protein in the media negatively affects the cytotoxicity of the alkaloids. MTT assay indicates concentration-dependent growth inhibitory effect of the alkaloids on A375, MDA-MB-231, HeLa, A549, ACHN a...
Wang, Zhiguo Chen, Zhenming Li, Jianfeng Huang, Jing Zheng, Chenni Liu, Jun-Ping
Published in
Journal of biomolecular structure & dynamics
The hepatitis C virus (HCV)-infected population has continued to grow during recent years, and novel HCV antiviral agents are urgently needed. In this work, a combined theoretical study was performed on the HCV non-structural 5B (NS5B) polymerase and 53 benzimidazole inhibitors. Comparative molecular field analysis (CoMFA) and comparative molecular...
