A5071411811- vaccines and immunoinformatics approaches
- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Monoclonal and Polyclonal Antibodies Research
- RNA and protein synthesis mechanisms
- Protein Structure and Dynamics
- Tuberculosis Research and Epidemiology
- Bacteriophages and microbial interactions
- Immunotherapy and Immune Responses
- Transgenic Plants and Applications
- Machine Learning in Bioinformatics
- Speech Recognition and Synthesis
- EEG and Brain-Computer Interfaces
- COVID-19 Clinical Research Studies
- Biochemical and Molecular Research
- Peptidase Inhibition and Analysis
- Bacillus and Francisella bacterial research
- Antibiotic Resistance in Bacteria
- Animal Virus Infections Studies
- Viral gastroenteritis research and epidemiology
- Synthesis and Biological Evaluation
- Synthesis and biological activity
- Mycobacterium research and diagnosis
- Blind Source Separation Techniques
- Genomics and Phylogenetic Studies
Qatar University
2024-2025
Sunway University
2023-2025
Shanghai Jiao Tong University
2016-2024
Vellore Institute of Technology University
2019-2024
Peng Cheng Laboratory
2020-2023
Vanke (China)
2021-2023
University of Malakand
2020-2022
University of Sialkot
2021
Foundation University Medical College
2021
Foundation University Islamabad
2021
Abstract The evolution of the SARS‐CoV‐2 new variants reported to be 70% more contagious than earlier one is now spreading fast worldwide. There an instant need discover how interact with host receptor (ACE2). Among mutations in Spike glycoprotein variants, three are specific receptor‐binding domain (RBD) and required insightful scrutiny for therapeutic options. These structural evolutions RBD may impart a critical role unique pathogenicity variants. Herein, using biophysical approaches, we...
Abstract Background Doxorubicin (DOX)-induced cardiotoxicity (DIC) is a major impediment to its clinical application. It indispensable explore alternative treatment molecules or drugs for mitigating DIC. WGX50, an organic extract derived from Zanthoxylum bungeanum Maxim, has anti-inflammatory and antioxidant biological activity, however, function mechanism in DIC remain unclear. Methods We established DOX-induced models both vitro vivo. Echocardiography histological analyses were used...
Abstract Helicobacter Pylori is a known causal agent of gastric malignancies and peptic ulcers. The extremophile nature this bacterium protecting it from designing potent drug against it. Therefore, the use computational approaches to design antigenic, stable safe vaccine pathogen could help control infections associated with in study, we used multiple immunoinformatics along other multi-epitopes subunit H . A total 7 CTL 12 HTL antigenic epitopes based on c-terminal cleavage MHC binding...
The current coronavirus (SARS-COV-2) pandemic and phenomenal spread to every nook cranny of the world has raised major apprehensions about modern public health care system. So far as a result this epidemic, 4,434,653 confirmed cases 302,169 deaths are reported. growing infection rate death toll demand use all possible approaches design novel drugs vaccines curb disease. In study, we combined repurposing virtual drug screening strategies target 3CLpro, which an essential role in viral...
Most recently, an outbreak of severe pneumonia caused by the infection SARS-CoV-2, a novel coronavirus first identified in Wuhan, China, imposes serious threats to public health. Upon infecting host cells, coronaviruses assemble multi-subunit RNA-synthesis complex viral non-structural proteins (nsp) responsible for replication and transcription genome. Therefore, role inhibition nsp12 are indispensable. A cryo-EM structure RdRp from SARs-CoV-2 was used identify drugs Northern South African...
High-risk human papillomaviruses (hrHPVs) are the most prevalent viruses in diseases including cervical cancers. Expression of E6 protein has already been reported cancer cases, excluding normal tissues. Continuous expression is making it ideal to develop therapeutic vaccines against hrHPVs infection and cancer. Therefore, we carried out a meta-analysis multiple predict potential prophylactic peptide vaccines. In this study, immunoinformatics approach was employed antigenic epitopes proteins...
Continuing reports of new SARS-CoV-2 variants have caused worldwide concern and created a challenging situation for clinicians. The recently reported variant B.1.618, which possesses the E484K mutation specific to receptor-binding domain (RBD), as well two deletions Tyr145 His146 at N-terminal binding (NTD) spike protein, must be studied in depth devise therapeutic options. Structural RBD NTD may play essential roles increased pathogenicity this variant. We explored differences...
Resistance to key first-line drugs is a major hurdle achieve the global end tuberculosis (TB) targets. A prodrug, pyrazinamide (PZA) only drug, effective in latent TB, recommended drug resistance and susceptible Mycobacterium (MTB) isolates. The prodrug conversion into active form, pyrazinoic acid (POA), required activity of pncA gene encoded pyrazinamidase (PZase). Although mutations have been commonly associated with PZA but small number cases mutationss RpsA protein. Here this study total...
Abstract Epstein–Barr virus (EBV), also known as human herpesvirus 4 (HHV-4), is a member of the Herpesviridae family and causes infectious mononucleosis, Burkitt’s lymphoma, nasopharyngeal carcinoma. Even in United States America, situation alarming, EBV affects 95% young population between 35 40 years age. In this study, both linear conformational B-cell epitopes well cytotoxic T-lymphocyte (CTL) were predicted by using ElliPro NetCTL.1.2 webservers for proteins (GH, GL, GB, GN, GM, GP42...
Incidents of breast cancer (BC) are on the rise a daily basis and have proven to be most prevelant cause death for women in both developed developing countries. Among total BC cases diagnosed after menopause, 70% Estrogen Receptor (ER) positive (ER-positive or ER+). Mutations LBD (ligand-binding domain) ER recently been reported major resistance potent antagonists. In this study, experimentally mutations K303R, E380Q, V392I, S463P, V524E, P535H, P536H, Y537C, Y537N, Y537S, D538G were...
A new variant of SARS-CoV-2 known as the omicron (B.1.1.529) reported in South Africa with 30 mutations whole spike protein, among which 15 are receptor-binding domain, is continuously spreading exponentially around world. The to be highly contagious antibody-escaping activity. emergence variants alarming, and thus quick discovery small molecule inhibitors needed. Hence, current study uses computational drug screening molecular dynamics simulation approaches (replicated) identify novel drugs...
Abstract The hypoxia-inducible factor (HIF) prolyl hydroxylase domain (PHD) inhibitors can potentially treat ischemic and hypoxic-related diseases, as demonstrated by their use in anemia treatment. An AlphaScreen assay was utilized to assess the PHD2 inhibition of 2-( 1H -1,2,3-triazol-1-yl)acetic acid (TA) derivatives ( 1–14 ), which were synthesized using copper(I)-catalyzed azide–alkyne cycloaddition (CuAAC) reaction. Most TA did not inhibit effectively, with compound 14 demonstrating...
Herein, a two-step de novo approach was developed for the prediction of piperine targets and another similar (piperine) compounds from small molecule library using deep-learning method. Deep-learning neural-network approaches were used target prediction, similarity searches, validation. The present trained on records containing data. model attained an overall accuracy around 87.5%, where training test set kept as 70% 30% (17 226/40 197), respectively. This method predicted two (MAO-A MAO-B)...
Porphyromonas gingivalis, a prominent pathogen responsible for acute periodontal diseases, is widely studied by the scientific community its successful evasion of host immune system. P. gingivalis associated with rheumatoid arthritis, dementia, and Alzheimer's. The successfully survives itself against heavy load conventional antibiotics because ability to evade Subtractive proteomics reverse vaccinology approaches were employed in order prioritize best proteins vaccine designing. Three...
Enhancers are short DNA regulatory elements which play a vital role in gene expression. Due to their important roles genomics, several computational models have been proposed the literature for identification of enhancers and strengths using traditional machine learning algorithms, however, unable identify strength with reasonable accuracy because high non-linearity sequences. This article proposes two-level intelligent model based on Deep Neural Network (DNN) along multiple feature...
Meiotic recombination is the driving force of evolutionary development and an important source genetic variation. The meiotic does not take place randomly in a chromosome but occurs some regions chromosome. A region chromosomes with higher rate events are considered as hotspots where frequencies lower called coldspots. Prediction spots provides useful information about basic functionality inheritance genome diversity. This study proposes intelligent computational predictor iRSpots-DNN for...