An exhaustive yet simple virtual screening campaign against Sortase A from multiple drug resistant Staphylococcus aureus

Methicillin resistant Staphylococcus aureus (MRSA) is one of the challenging bacterial pathogen due to its acquired resistance to the β lactam antibiotics. The Sortase A is an enzyme of Gram-positive bacteria including S. aureus to anchor surface proteins to the cell wall. Sortase A is well studied enzyme and considered as the drug target against MRSA. Sortase A plays active role in anchoring the virulence proteins on the cell wall of the Gram-positive bacteria. The inhibition of Sortase A activity results in the separation of S. aureus from the host cells and ultimately alleviation of the infection. Here, we adapted a structure-based virtual screening protocol which helped in identification of novel potential inhibitors of Sortase A. The protocol involved the docking of a chemical library of druglike compounds with the Sortase A binding site represented by multiple crystal structures. The compounds were ranked by multiple scoring functions and shortlisted for future experimental screening. The method resulted in shortlisting of three compounds as potential novel inhibitors of Sortase A out of a large chemical library. The high rankings of shortlisted compounds estimated by multiple scoring functions showed their binding potential with Sortase A. The results are proved to be a simple yet efficient choice of structure-based virtual screening. The identified compounds are druglike and show high rankings among all set protocols of the virtual screening. We hope that the study would eventually help to expedite the discovery of novel drug candidates against MRSA.     

Techniques of EMG signal analysis: detection, processing, classification and applications (Correction)

This paper was originally published in Biological Procedures Online (BPO) on March 23, 2006. It was brought to the attention of the journal and authors that reference 74 was incorrect. The original citation for reference 74, “Stanford V. Biosignals offer potential for direct interfaces and health monitoring. Pervasive Computing, IEEE 2004; 3(1):99–103.” should read “Costanza E, Inverso SA, Allen R. ‘Toward Subtle Intimate Interfaces for Mobile Devices Using an EMG Controller’ in Proc CHI2005, April 2005, Portland, OR, USA.”     

Length–weight relationships of three carangid fish species Alepes vari (Cuvier, 1833), Uraspis uraspis (Günther, 1860) and Carangiodes oblongus (Cuvier, 1833) from the Bay of Bengal coast,Bangladesh

Length–weight relationships (LWRs) were determined for three Carangid fish, [Alepes vari (Cuvier, 1833), Uraspis uraspis (Günther, 1860) and Carangiodes oblongus (Cuvier, 1833)] inhabiting in the Bay of Bengal coast, Bangladesh. A total of 147 individuals of three species were sampled from four different sampling points of the Bay of Bengal coast, Bangladesh and examined from April 2017 to October 2017. Fishermen operated beach seine nets (mesh size BSN, 30 mm) and drift gillnet (10.5 cm) twice in each sampling campaign to catch the studied species. The calculated value for parameter “b” of LWRs were 3.003, 2.945 and 2.980 for A. vari, U.uraspis and C. oblongus, respectively.     

Detection and Processing Techniques of FECG Signal for Fetal Monitoring

Fetal electrocardiogram (FECG) signal contains potentially precise information that could assist clinicians in making more appropriate and timely decisions during labor. The ultimate reason for the interest in FECG signal analysis is in clinical diagnosis and biomedical applications. The extraction and detection of the FECG signal from composite abdominal signals with powerful and advance methodologies are becoming very important requirements in fetal monitoring. The purpose of this review paper is to illustrate the various methodologies and developed algorithms on FECG signal detection and analysis to provide efficient and effective ways of understanding the FECG signal and its nature for fetal monitoring. A comparative study has been carried out to show the performance and accuracy of various methods of FECG signal analysis for fetal monitoring. Finally, this paper further focused some of the hardware implementations using electrical signals for monitoring the fetal heart rate. This paper opens up a passage for researchers, physicians, and end users to advocate an excellent understanding of FECG signal and its analysis procedures for fetal heart rate monitoring system.     

Integrated bioinformatics based subtractive genomics approach to decipher the therapeutic function of hypothetical proteins from Salmonella typhi XDR H-58 strain

Biotechnology Letters - The efficacy of drugs against Salmonella infection have compromised due to emerging XDR H58 strain. There is a dire need to find novel antimicrobial drug targets as well as...     

Docking and 3D-QSAR modeling of cyclin-dependent kinase 5/p25 inhibitors

Structure-based 3D-QSAR approaches (CoMFA and CoMSIA) were applied to understand the structural requirements of the Cyclin-dependent kinase 5/p25 inhibitors. Cyclin-dependent kinase 5 (CDK5) is believed to play an important role in the development of the central nervous system during the process of mammalian embryogenesis. Genetic algorithm based docking program (GOLD) was successfully utilized to orient the compounds inside the binding pocket of the CDK5/p25 structure. The adapted alignment method with the suitable parameters resulted in a reliable model. Furthermore, the final model was robust enough to forecast the activities of test compounds, satisfactorily. The contour maps were produced around the functional groups to understand the SAR requirements. Moreover, we also investigate the structural attributes of the inhibitors which make them selective toward CDK5/p25 over its close counterpart, i.e., CDK2. The study could be helpful to rationalize the new compounds with better inhibition and selectivity profiles against CDK5/p25.