A5089020930- Computational Drug Discovery Methods
- vaccines and immunoinformatics approaches
- Viral Infections and Outbreaks Research
- Cancer-related molecular mechanisms research
- Phytochemistry and biological activity of medicinal plants
- SARS-CoV-2 and COVID-19 Research
- Medicinal Plants and Neuroprotection
- Synthesis and biological activity
- Cancer therapeutics and mechanisms
- Helminth infection and control
- Coconut Research and Applications
- Fungal Infections and Studies
- Synthesis and Characterization of Heterocyclic Compounds
- FOXO transcription factor regulation
- RNA modifications and cancer
- Diverse Scientific Research Studies
- Ethnobotanical and Medicinal Plants Studies
- Herbal Medicine Research Studies
- Plant nutrient uptake and metabolism
- Proteoglycans and glycosaminoglycans research
- HER2/EGFR in Cancer Research
- Hepatitis B Virus Studies
- Berberine and alkaloids research
- Bioinformatics and Genomic Networks
- Rice Cultivation and Yield Improvement
University of Science and Technology
2022
Middle East respiratory syndrome coronavirus (MERS-CoV) is a highly infectious zoonotic virus first reported into the human population in September 2012 on Arabian Peninsula. The causes severe and often lethal illness humans with an unusually high fatality rate. N-terminal domain (NTD) of receptor-binding S1 subunit spike (S) proteins can recognize variety host protein mediates entry cells. Blocking by targeting S1-NTD facilitate development effective antiviral drug candidates against...
Rearranged during transfection (RET), an oncogenic protein, is associated with various cancers, including non-small-cell lung cancer (NSCLC), papillary thyroid (PTC), pancreatic cancer, medullary (MTC), breast and colorectal cancer. Dysregulation of RET contributes to development, highlighting the importance identifying lead compounds targeting this protein due its pivotal role in progression. Therefore, study aims discover effective across different types evaluate their potential inhibit
The aim of this research is to examine possible neurological activity methanol, ethyl acetate, and aqueous extracts Hygrophila spinosa identify lead compounds through in silico analysis. In vivo, neuropharmacological was evaluated by using four distinct assessment assays. Previously reported GC-MS data earlier literature were utilized the phytochemicals present spinosa. Computational studies notably molecular docking dynamic simulations conducted with responsible receptors assess stability...
Abstract Background Crimean-Congo hemorrhagic fever (CCHF) is a widespread disease transmitted to humans and livestock animals through the bite of infected ticks or close contact with persons’ blood, organs, other bodily fluids. The virus responsible for severe viral outbreaks, case fatality rate up 40%. Despite having highest virus, suitable treatment option vaccination has not been developed yet. Therefore, this study aimed formulate multiepitope vaccine against CCHF computational design...
Breast cancer, being among the most frequent and fatal cancers in women, is an enormous issue globally. The critical requirement for novel treatment methods underscored by its high mortality rate relentless advancement. Even though breast cancer one of world’s common causes death, therapeutic avenue still limited. aim this work to investigate potential inhibitory effects specific compounds present leaf extract from Mangifera indica on growth drug-resistant protease PDB ID 3w32. chemical...
SARS-CoV-2 is an etiologic agent responsible for the coronavirus disease 2019 (COVID-19) pandemic. The virus has rapidly extended globally and taken millions of lives due to unavailability therapeutics candidates against virus. Till now, no specific drug have been developed that can prevent or treat infections caused by pathogen. main protease (Mpro) plays a pivotal role in mediating viral replication mechanistically inhibition protein hinder infection process Therefore, study aimed identify...
Merkel cell carcinoma (MCC) is a rare neuroendocrine skin malignancy caused by human polyomavirus (MCV), leading to the most aggressive cancer in humans. MCV has been identified approximately 43%–100% of MCC cases, contributing highly nature primary cutaneous and notable mortality rate. Currently, no existing vaccines or drug candidates have shown efficacy addressing ailment this specific pathogen. Therefore, study aimed design novel multiepitope vaccine candidate against virus using...
Single nucleotide polymorphisms (SNPs) are one of the most common determinants and potential biomarkers human disease pathogenesis. SNPs could alter amino acid residues, leading to loss structural functional integrity encoded protein. In humans, members minichromosome maintenance (MCM) family play a vital role in cell proliferation have significant impact on tumorigenesis. Among MCM members, molecular mechanism how missense complex component 6 (MCM6) contribute DNA replication tumor...
Cassia occidentalis L. is widely used in indigenous and traditional medicine, but its impact on multi-drug resistant (MDR) bacterial infections mostly remains unknown.
In humans, FOXP gene family is involved in embryonic development and cancer progression. The FOXP4 (Forkhead box protein P4) belongs to this family. plays a crucial role oncogenesis. Single nucleotide polymorphisms are biological markers common determinants of human diseases. Mutations can largely affect the function corresponding protein. Therefore, molecular mechanism nsSNPs needs be elucidated. Initially, SNPs were extracted from dbSNP database total 23124 was found, where 555...
Christella dentata (Forssk.) Brownsey & Jermy has been commonly used in traditional medicinal practices but its effects on multi-drug-resistant (MDR) bacteria have remained unexplored.
Background: Head and neck cancer (HNC) is on the rise worldwide, endangering lives straining healthcare systems in both developing developed nations. Despite availability of a number therapy options, success rate for treating controlling head remains dismal. To combat aggressiveness drug resistance Epstein-Barr virus (EBV)-positive Head-Neck cells, this study looks into potential Euphorbia tirucalli (pencil cactus) leaf extract. Objectives: The goal to identify prospective therapeutic...
L. is a medicinal plant, but its impact on Alzheimer's disease (AD) right now undetermined. We intended to investigate the in-vitro anti-AD potential of leaves and flowers
Cryptococcus neoformans, the most opportunistic fungal pathogen, causes cryptococcal meningitis. Based on molecular docking and ADME/toxicity analysis, top two lead compounds selected from a screening of 5,807 phytochemical 29 medicinal plants were CID_8299 CID_71346280, with scores ‐5.786 ‐6.078 Kcal/mol, respectively, indicating stronger binding affinities than control ligand CID_3365 (fluconazole), which scored ‐4.2 kcal/mol. Both bind at common active site protein by interacting amino...
The rare zoonotic Borna disease virus (BDV) causes fatal neurological in various animals, with a high mortality rate exceeding 90% central Europe. However, unlike most viruses, it establishes persistent infections within the host cell nucleus, hindering treatment. As successful BDV treatments remain elusive, researchers turned to computational approach, utilizing molecular docking, ADME/T, post-docking MMGBSA, MD simulation, DCCM, and PCA identify promising phytochemical drug candidates...
Glypican-3 (GPC3), a membrane-bound heparan sulfate proteoglycan, has long been found to be dysregulated in human lung adenocarcinomas (LUADs). Nevertheless, the function, mutational profile, epigenetic regulation, co-expression and clinicopathological significance of GPC3 gene LUAD progression are not well understood. In this study, we analyzed cancer microarray datasets from publicly available databases using bioinformatics tools elucidate above parameters. We observed significant...
Ethnopharmacological relevance: Senna tora (L.) is an ethno-medicinal herb used by rural and tribal people of the Satpura region Madhya Pradesh in India Phatthalung Province Thailand for treating rheumatism, bronchitis, ringworm, itches, leprosy, dyspepsia, liver heart disorders, as well its use Chinese Ayurvedic medicine.Aim study: To investigate potential Roxb. a source drug candidates against oxidants, inflammation, bacterial infection.Materials methods: The phytochemical screening GC-MS...
Ethnopharmacological relevance: Senna tora (L.) Roxb. is an ethno-medicinal herb used by rural and tribal people of the Satpura region Madhya Pradesh in India Phatthalung Province Thailand for treating rheumatism, bronchitis, ringworm, itches, leprosy, dyspepsia, liver heart disorders, it also Chinese Ayurvedic medicine.Aim study: To investigate potential as a source drug candidates against oxidants, inflammation, bacterial infection.Materials methods: Phytochemical screening GC–MS were...