In a recent available Science Daily news explained how new therapy uses synthetic nanofibers to mimic the natural signalling of a protein that is crucial for cartilage formation and maintenance. In a groundbreaking development, researchers have discovered that “dancing molecules” have the potential to heal cartilage damage, offering a promising new treatment for joint injuries […]
A concerning news report in Science Daily reported that Covid-19-causing viruses are widely spreading among wildlife.COVID-19-causing viruses, specifically SARS-CoV-2, are widely spreading among wildlife, raising significant concerns for both animal and human health. Initially, the virus was predominantly associated with human populations; however, mounting evidence indicates that various wildlife species are susceptible to infection. This […]
A piece of recent news by Tina Hesman Saey in Science News has reported, “A mind-bending parasite may one day deliver drugs to the brain” The concept of using parasites to deliver drugs to the brain is a fascinating and emerging area of research that holds the potential to revolutionize medical treatments for neurological diseases. […]
Pharmacophore Guided Deep Learning Approach to Identify Novel Inhibitors Targeting Mycobacterial Polyketide Synthase Pks13-TE Domain Tuberculosis (TB), an enduring global health challenge, persists due to the rise of drug-resistant Mycobacterium tuberculosis (MTB) strains. Among potential therapeutic targets, Pks13, a protein crucial for mycolic acid biosynthesis, is key for Mtb’s virulence and survival. This study employed […]
As per Technology Networks report “European Medicines Agency (EMA) committee has recommended the refusal of EU marketing authorization for Alzheimer’s drug lecanemab (Leqembi), which was only last year given the green light for approval by the US Food and Drug Administration (FDA)”. Leqembi (commercial name for lecanemab) is an investigational monoclonal antibody developed for treating Alzheimer’s disease. […]
The recent news published in Drug Discovery News with entitled “Circular RNA: a new era in therapeutics”. The article has reported that “Originally regarded as a genetic anomaly or an experimental artifact, circular RNA (circRNA) garnered attention after scientists discovered it had a functional role in human cells. In 2011, Erik Digman Wiklund, then a molecular […]
We are planning to organize an online webinar soon. The details of the webinar are below. Background A webinar on computational drug discovery can be an invaluable resource for scientists, researchers, and professionals in the pharmaceutical and biotechnology industries. Here’s a comprehensive overview of what such a webinar might cover: Title: Unlocking the Potential of […]
Identification And Design Of Novel Antimicrobial Peptides Targeting Mycobacterial Protein Kinase Pkn Antimicrobial peptides (AMPs) are increasingly favored over small molecule inhibitors due to their multifunctionality, ease of synthesis, and target specificity. Our recent study aimed to identify an AMP that inhibits PknB of M. tuberculosis, a serine/threonine protein kinase, by binding at its hinge […]
Identification of novel hit molecules targeting M. tuberculosis polyketide synthase 13 by combining generative AI and physics-based methods Our latest research gives insight into the critical Pks13-TE domain of mycobacteria, employing a mix of AI and physics-based tools to identify new inhibitors. We utilized AI-ML tools such as Reinvent 4, pKCSM, KDeep, and SwissADME, alongside […]
Machine learning aided de novo design identifies novel Benzimidazolone based inhibitor-modulators for Heat Shock Protein 90 (HSP90) Our research began with a machine learning-assisted de novo design process, employing REINVENT4 to design and generate novel molecular structures inspired by known HSP90 inhibitors. The generated molecules underwent a series of rigorous cheminformatics analyses to assess their […]