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Khan, M. S. A.

Publications and source records attributed to Khan, M. S. A..

4 recordsLinked to original sources

scTGCL: A Transformer-Based Graph Contrastive Learning Approach for Efficiently Clustering Single-Cell RNA-seq Data

Single-cell RNA sequencing (scRNA-seq) enables characterization of cellular heterogeneity but clustering remains challenging due to high dimensionality, dropout induced sparsity, and technical noise. Existing graph-based and contrastive methods often rely on predefined similarity measures or suffer from high computational costs on large datasets. We propose single-cell Transformer-based Graph Contrastive Learning (scTGCL), a framework integrating multi-head self-attention with graph contrastive learning to learn robust cell representations. The model projects raw expression data into an embedding space and employs multi-head attention to adaptively learn weighted cell-cell graphs capturing diverse biological relationships. For contrastive augmentation, we apply random gene masking at the feature level and random edge dropping on attention matrices, simulating dropout and structural uncertainty. A symmetric contrastive loss maximizes agreement between original and augmented representations, while joint optimization with reconstruction and imputation losses preserves biological interpretability. Experiments on ten real scRNA-seq datasets demonstrate that scTGCL consistently outperforms nine state-of-the-art methods across clustering accuracy, normalized mutual information, and adjusted Rand index. Ablation studies validate each architectural component, and robustness analysis on simulated data confirms stable performance under varying dropout rates and differential expression levels. Furthermore, scTGCL exhibits superior computational efficiency, achieving substantially lower runtime on large scale datasets compared with existing approaches. The framework provides an accurate, efficient, and scalable solution for single-cell clustering. Source code and datasets are available at https://github.com/ShoaibAbdullahKhan/scTGCL.

bioinformatics↗

Spatial mapping of acoustic impedance of shrimp scale using multiple overlap discrete wavelet transform (moDWT)

There are lots of challenges associated with conventional optical observation of biological tissues, where specimens are typically sliced and stained for better contrast. In contrast, Scanning Acoustic Microscopy (SAM) is a versatile label-free imaging technology widely applied in various domains, including biomedical imaging, non-destructive testing, and material research. It excels in offering precise visualization of both surface and subsurface structures, providing valuable insights through visual inspection and quantitative analysis. Acknowledging the SAM, this paper presents acoustic impedance microscopy of the shrimp scale in a novel manner. The proposed technique aims to image the local distribution of cross-sectional acoustic impedance in biological tissue, which is a parameter closely related to sound speed and potentially valuable for tissue characterization. The study leverages advanced signal processing techniques, maximal overlap discrete wavelet transform (moDWT), to decompose acoustic responses effectively. The moDWT, with its ability to handle signals of various lengths without constraints, is highlighted as a promising approach. To determine shrimp scale impedance, we first establish the accuracy of the proposed algorithm using PVDF as the target and polyimide as reference material. The results indicate an algorithm accuracy exceeding 90%. An impedance map is generated through Gaussian process regression (GPR), which predicts the impedance over the complete domain, addressing spatial variations in biological specimens. The resulting acoustic impedance maps provide in-depth insights into the functional framework and advance our understanding of shrimp biomechanics.

biophysics↗

Computational Approach for Screening the Whole Proteome of Hantavirus and Designing a Multi-Epitope Subunit Vaccine

Hantaviruses are a newly zoonotic emerging group of rodent-borne viruses that have a significant impact on global public health by increasing amplitude and magnitude of outbreaks. As no permanent cure yet, it is now growing and challenging interest to develop a vaccine against Hantavirus. This study endeavored to design a robust subunit vaccine using a novel immunoinformatics approach. After meticulous evaluation, top ones from predicted CTL, HTL, and B-cell epitopes were considered as potential vaccine candidates. Among generated four vaccine models with different adjuvant, the model with TLR-4 agonist adjuvant was selected for its high antigenicity, non-allergenicity, and structural quality. The conformational B-cell epitope prediction assured its humoral response inducing ability. Thereafter, the molecular docking and dynamics simulation confirmed a good binding affinity with immune receptor TLR-4 and stability of the vaccine-receptor complex. In immune simulation, significantly high levels of IgM and IgG1 immunoglobulins, TC and TH-cell populations, and various cytokines (i.e. IFN-{gamma}, IL-2 etc.) are coherence with actual immune response and also showed faster antigen clearance for repeated exposures. Finally, disulfide engineering enhanced vaccine stability and in silico cloning confirmed the better expression in E. coli K12. Nonetheless, experimental validation can proof the proposed vaccines safety and ability to control Hantavirus infection.

bioinformatics↗

Immunoinformatic and dynamic simulation-based designing of a multi-epitope vaccine against emerging pathogen Elizabethkingia anophelis

Elizabethkingia anophelis is an emerging human pathogen causing neonatal meningitis, catheter-associated infections and nosocomial outbreaks with high mortality rates. Besides, they are resistant to most antibiotics used in empirical therapy. In this study, therefore, we used immunoinformatic approaches to design an epitope-based vaccine against E. anophelis as an alternative preventive measure. Initially, T-cell (CTL and HTL) and B-cell (LBL) epitopes were predicted from the highest antigenic protein. The CTL and HTL epitopes together had a population coverage of 99.97% around the world. Eventually, 6 CTL, 7 HTL, and 2 LBL epitopes were selected and used to construct a multiepitope vaccine. The vaccine protein was found to be highly immunogenic, non-allergenic, and non-toxic. Codon adaptation and in silico cloning were performed to ensure better expression within E. coli K12 host system. The stability of the vaccine structure was also improved by disulphide bridging. In addition, molecular docking and dynamic simulation revealed good and stable binding affinity between the vaccine and receptor. The immune simulation showed higher levels of T-cell and B-cell activities which was in coherence with actual immune response. Repeated exposure simulation resulted in higher clonal selection and faster antigen clearance. Nevertheless, experimental validation is required to ensure the immunogenic potency and safety of this vaccine to control E. anophelis infection in the future.

bioinformatics↗