A5103144875- vaccines and immunoinformatics approaches
- Computational Drug Discovery Methods
- Monoclonal and Polyclonal Antibodies Research
- Transgenic Plants and Applications
- Biochemical and Molecular Research
- Pneumonia and Respiratory Infections
- Tuberculosis Research and Epidemiology
- Synthesis and biological activity
- Bacteriophages and microbial interactions
- Poxvirus research and outbreaks
- Estrogen and related hormone effects
- Ubiquitin and proteasome pathways
- SARS-CoV-2 and COVID-19 Research
- HIV/AIDS drug development and treatment
- Prostate Cancer Treatment and Research
- Peptidase Inhibition and Analysis
- Biochemical and Structural Characterization
- Enzyme Catalysis and Immobilization
- Antimicrobial Resistance in Staphylococcus
- Advanced Bandit Algorithms Research
- PARP inhibition in cancer therapy
- Cancer, Lipids, and Metabolism
- Cell Adhesion Molecules Research
- Microbial Natural Products and Biosynthesis
- Autophagy in Disease and Therapy
Beijing University of Chemical Technology
2022-2025
Ghazi University
2025
Guangdong Medical College
2024-2025
Guangdong Pharmaceutical University
2025
Abdul Wali Khan University Mardan
2022-2024
Background: Structure–activity relationship (SAR) is considered to be an effective in silico approach when discovering potential antagonists for breast cancer due gene mutation. Major challenges are faced by conventional SAR predicting novel the discovery of diverse antagonistic compounds. Methodologyand Results: In antagonists, a multistep screening phytochemicals isolated from seeds Citrus sinensis plant was applied using feasible complementary methodologies. A three-dimensional...
Streptococcus pneumoniae (SPN) is a significant pathogen causing pneumonia and meningitis, particularly in vulnerable populations like children the elderly. Available vaccines have limitations since they only cover particular serotypes high production costs. The emergence of antibiotic-resistant SPN strains further underscores need for new, cost-effective, broad-spectrum vaccine. Two potential vaccine candidates, CbpA PspA, were identified, their B-cell, CTL, HTL epitopes predicted connected...
Burkholderia pseudomallei is an infectious agent causing severe disease melioidosis resulting in pneumonia, fever, and acute septicemia humans. B. show resistance to drugs. No such FDA-approved vaccine available against pseudomallei, treatment limited therapy. Therefore, the scientific study was designed develop a for pseudomallei. The protein sequence of retrieved from NCBI. B-cell T-cell epitopes were identified further screened allergenicity, antigenicity docking, simulation.
Abstract Cancer is among the top causes of death, accounting for an estimated 9.6 million deaths in 2018, it appeared that approximately 500,000 people die from cancer United States alone annually. The SHP2 plays a major role regulation cell growth, proliferation, and differentiation, functional upregulation this enzyme linked to oncogenesis developmental disorders. activity has been several types which no drugs are currently available. In our study, we aimed design peptide inhibitors...
Cyclin-dependent kinase 2 (CDK2) is a promising target for cancer treatment, developing new effective CDK2 inhibitors of great significance in anticancer therapy. The involvement tumorigenesis has been debated, but recent evidence suggests that specifically inhibiting could be beneficial treating certain tumors. This approach remains attractive the development drugs. Several small-molecule targeting have reached clinical trials, selective inhibitor yet to discovered. In this study, we...
Streptococcus pneumoniae (SPN) is the agent responsible for causing respiratory diseases, including pneumonia, which causes severe health hazards and child deaths globally. Antibiotics are used to treat SPN as a first-line treatment, but nowadays, showing resistance several antibiotics. A vaccine can overcome this global problem by preventing deadly pathogen. The conventional methods of wet-laboratory design development an intense, lengthy, costly procedure. In contrast, epitope-based in...
Abstract The rise of pyrazinamide (PZA)‐resistant strains Mycobacterium tuberculosis (MTB) poses a major challenge to conventional (TB) treatments. PZA, cornerstone TB therapy, must be activated by the mycobacterial enzyme pyrazinamidase (PZase) convert its active form, pyrazinoic acid, which targets ribosomal protein S1. Resistance, often associated with mutations in RpsA protein, complicates treatment and highlights critical gap understanding structural dynamics mechanisms resistance,...
Background: Repositioning Traditional Chinese Medicine (TCM) for cancer treatment, addressing heterogeneity through synergistic effects, aligns with the evolving trend of combination therapy. However, complexity TCM and lack methodology hinders elucidation treatment mechanisms potential indications. The research aims to construct develop a comprehensive method combining network pharmacology pan-cancer analysis (NetPharm-PanCan) repositioning, exemplified by Astragali Radix-Curcumae Rhizoma...
Tyrosine-protein kinase Src plays a key role in cell proliferation and growth under favorable conditions, but its overexpression genetic mutations can lead to the progression of various inflammatory diseases. Due specificity selectivity problems previously discovered inhibitors like dasatinib bosutinib, we employed an integrated machine learning structure-based drug repurposing strategy find novel, targeted, non-toxic inhibitors. Different models including random forest (RF), k-nearest...
CIAS (CuInAlSe2) thin films were prepared by 1-step electrodeposition on ITO coated glass substrate varying deposition potential to obtain low cost, uniform and compact crystallinity at room temperature. The 200ml solution has been operated 0.55V 0.95V potentials. different molarity ratios from 0.1M 1.0M optimum results obtained 0.5M molar solution. cyclic voltammetry reveals that quaternary compound having reduction can be deposited in range 0.5V 0.95V. XRD technique used study the...
Fucosyltransferase 2 (FUT2) gene has been extensively reported to play its role in potential gut microbiota changes and norovirus susceptibility. The normal activity of FUT2 found be disrupted by non-synonymous single nucleotide polymorphisms (nsSNPs) gene. To explore the possible mutational their deleterious effects, we employed state-of-the-art computational strategies. Firstly, nine widely-used bioinformatics tools were utilized for initial screening possibly nsSNPs. Subsequently,...
Monkeypox virus is an infectious agent that causes fever, Pneumonitis encephalitis, rash, lymphadenopathy and bacterial infection. The current outbreak of monkeypox has reawakened the global health concern. In situation increasing viral infection, no vaccine or drug available for monkeypox. Thus, there urgent need viable development to prevent transmission by boosting human immunity. Herein, using immunoinformatics approaches, a multi-epitope was constructed virus. this connection, B-Cell...
is an opportunistic Gram-negative bacterium implicated in acute and chronic nosocomial infections a leading cause of patient mortality.
The COVID-19 pandemic, caused by SARS-CoV-2, has globally affected both human health and economy. Several variants with a high potential for reinfection the ability to evade immunity were detected shortly after initial reported case of COVID-19. A total 30 mutations in spike protein (S) have been SARS-CoV-2 (BA.2) variant India South Africa, while half these are receptor-binding domain spread rapidly throughout world. Drug repurposing offers advantages over discovery novel drugs, one is that...
The rise of antibiotic-resistant Mycobacterium tuberculosis (Mtb) has reduced the availability medications for therapy, resulting in increased morbidity and mortality globally. Tuberculosis spreads from lungs to other parts body, including brain spine. Developing a single drug can take several decades, making discovery costly time-consuming. Machine learning algorithms like support vector machines (SVM), k-nearest neighbor (k-NN), random forest (RF) Gaussian naive base (GNB) are fast...
The lumpy skin disease (LSD) virus of the Poxviridae family is a serious threat that mostly affects cattle and causes significant economic loss. LSD has potential to spread widely its rapidly across borders. Despite availability information, there still no competitive vaccine available for LSD. Therefore, current study was conducted develop an epitope-based efficient, secure, biocompatible stimulates both innate adaptive immune responses using immunoinformatics techniques. Initially,...
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of ongoing disease 2019 (COVID-19) pandemic which has brought a great challenge to public health. After first emergence novel SARS-CoV-2 in city Wuhan, China, December 2019. As March 2020, was reported Bangladesh and since then country experienced steady rise infections, resulting 13,355,191 cases 29,024 deaths as 27 February 2022. Bioinformatics techniques are used predict B cell T epitopes from new spike...
Cancer immunotherapy has significantly contributed to the treatment of various types cancers mainly by targeting immune checkpoint inhibitors (ICI). Among them, V-domain immunoglobulin suppressor T cell activation (VISTA) been explored as a promising therapeutic target. Besides, histone deacetylase 6 (HDAC6) demonstrated be efficacious target for several cancers. The current theoretical work was performed explore virtual repurposing FDA-approved drugs against these two (VISTA and HDAC6)...
Abstract Breast cancer, the prevailing malignant tumor among women, is linked to progesterone and its receptor (PR) in both tumorigenesis treatment responsiveness. Despite thorough investigation, precise molecular mechanisms of breast cancer remain unclear. The human serves as an essential therapeutic target for treatment, warranting rapid design small molecule therapeutics that can effectively inhibit HPR. By employing cutting-edge computational techniques like screening, simulation, free...