A series of novel quinoline appended biaryls have been synthesized (5a-5o) by reacting various substituted boronic acids (4e-4h) with 2-(4-bromophenoxy)quinolin-3-carbaldehydes (3a-3d) through carbon-carbon bond formation. Effects on the breast cancer protein 3ERT are moderate to high, as found in silico molecular docking studies. Comparatively, all 5h show better efficacy a binding energy -9.39 kcal/mol, and hydrogen bonds Thr347, Glu353, Arg394 pocket. Conclusively, final confirmed...

Exploring the exciting opportunities and formidable challenges of achieving a sustainable future, research paper "Integrating Renewable Energy Computer Science: Innovations Challenges in Sustainable Future" delves into crucial intersection renewable energy computer science. science emerges as key facilitator, providing novel solutions to maximize efficiency, integration, management systems world acknowledges urgent need transition from fossil fuels sources. New developments solar...

Discovering a potential drug for HCV treatment is challenging task in the field of research. This study initiates with computational screening and modeling promising ligand molecules. The foremost method involves identification novel compound its molecular interaction based on pharmacophore features. A total 197 compounds NS3/4A protein target were screened our study. models generated using PHASE module implemented Schrodinger suite. features include one hydrogen bond acceptor, donor, three...

Claudin-4 (CLDN4) is a vital member of tight-junction proteins that often overexpressed in cancer and other malignancies. The three-dimensional structure human CLDN4 was constructed based on homology modeling approach. A total 265 242 molecules from the National Cancer Institute (NCI) database has been utilized as dataset for this study. In present work, structure-based virtual screening performed with NCI using Glide. By molecular docking, 10 candidate high scoring functions, which binds to...

Claudin-4 (CLDN4) is a class of transmembrane protein in the family tight junction (TJ) proteins. Overexpression CLDN4 reported case ovarian cancer and epithelial malignancies. The current study focused on identification lead compounds for adopting structure-based drug design method. Schrodinger glide used as molecular docking tool initial with Asinex Database by performing high throughput virtual screening, top hits were identified. Then, BDF 33196188 BDE 30874918 identified based binding...

Colon cancer, also referred as colorectal cancer(CRC), is common type of cancer. An uncontrolled growth cells in large intestine. One the protein involved colon cancer Claudin. The initiation due to dysregulation Claudin-7. Therefore, we use bioinformatic tools find natural compounds for finding compound begins with virtual screening on basis ADME properties. used a target and set are ligands. interactions between ligand studied help 3-D structure. active site interacts based drug design....

Claudin(CLDN) family proteins are highly involving in human cancer lung cancer, hepatocellular carcinoma and breast cancer. Hepatocellular is initiated due to dysregulation of CLDN-10. It’s also called as malignant hepatoma, the most well-known types liver Hence, we aim propose lead compounds for CLDN-10 inhibition by computational approach. We performed workflow using PyRx AutoDock virtual screening docking. In this study, modelled structure used target alfalfa ligand dataset. Ligands were...

ABSTRACT The use of genomic sequencing has greatly improved our ability to profile the microbial communities associated with environment and host. Among most common applications metagenomics is assessing microbiome biodiversity. Holcomb Creosote Superfund Site Soil located in North Carolina area, 16s metagenomic Sequencing was carried out from soil Site. To describe taxonomic diversity functional profiles this environment, DNA sequence extracted a library generated by Sequencing....

In the human anatomy, skin is external cover of body acting as a mechanical barrier. normal cellular process, cell grows, proliferates and dies. However, mutated cells substitute dying, begin to grow multiply faster than cells. These fast-growing accumulate form tumors. Skin cancer has been reported most commonly occurring against incidence rate breast, lung, colon prostate together. Although melanoma less common but it more life-threatening cancer. Melanoma begins in melanocytes. A gene...

Claudin family proteins are the most important components of tight junctions (TJs). They highly encompassing in human carcinoma such as lung, ovarian, breast, etc. This study sought to find protein-protein interaction network and expression profile claudins. The result indicates importance junction protein1 protein3 interactions with class various Moreover, screening three profiles through assistance gene set enrichment analysis it is further validated by map. Our report had identified that...

Pancreatic cancer shows malignancy around the world standing in 4th position for causing death globally. This is majorly divided into exocrine and neuroendocrine where pancreatic ductal adenocarcinoma observed to be nearly 85% of cases. The lack diagnosis considered one major drawbacks prognosis treatment patients. survival rate after very low, due higher incidence drug resistance which leads an increase mortality rate. transcriptome analysis involves dataset collection from ENA database,...