AIMC Topic: Molecular Targeted Therapy

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Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I.

Tuberculosis (Edinburgh, Scotland)
There is a shortage of compounds that are directed towards new targets apart from those targeted by the FDA approved drugs used against Mycobacterium tuberculosis. Topoisomerase I (Mttopo I) is an essential mycobacterial enzyme and a promising target...

Linking rare and common disease: mapping clinical disease-phenotypes to ontologies in therapeutic target validation.

Journal of biomedical semantics
BACKGROUND: The Centre for Therapeutic Target Validation (CTTV - https://www.targetvalidation.org/) was established to generate therapeutic target evidence from genome-scale experiments and analyses. CTTV aims to support the validity of therapeutic t...

A method to predict different mechanisms for blood-brain barrier permeability of CNS activity compounds in Chinese herbs using support vector machine.

Journal of bioinformatics and computational biology
The blood-brain barrier (BBB), a highly selective barrier between central nervous system (CNS) and the blood stream, restricts and regulates the penetration of compounds from the blood into the brain. Drugs that affect the CNS interact with the BBB p...

Exploring the relationship between hub proteins and drug targets based on GO and intrinsic disorder.

Computational biology and chemistry
Protein-protein interactions (PPIs) play essential roles in many biological processes. In protein-protein interaction networks, hubs involve in numbers of PPIs and may constitute an important source of drug targets. The intrinsic disorder proteins (I...

Active-learning strategies in computer-assisted drug discovery.

Drug discovery today
High-throughput compound screening is time and resource consuming, and considerable effort is invested into screening compound libraries, profiling, and selecting the most promising candidates for further testing. Active-learning methods assist the s...

Medical management of pancreatic cancer: from personalization to broadening treatment strategies.

Cancer treatment reviews
Pancreatic ductal adenocarcinoma (PDAC) is one of the most heterogeneous and deadly cancers. This review examines recently implemented strategies to integrate predictive tools and targeted therapies to improve treatments personalization and patient o...

Big data-driven target identification by machine learning: DRD2 as a therapeutic target for psoriasis.

Journal of dermatological science
BACKGROUND: The development of medical treatments has traditionally relied on researchers leveraging scientific knowledge to hypothesize disease mechanisms and identify therapeutic agents. However, the depletion of novel therapeutic targets has becom...

Editorial: New Target for Skin Cancer.

Experimental dermatology
Skin cancer encompasses a diverse spectrum of malignancies with increasing global incidence and persistent clinical challenges. Despite advances in therapies such as immune checkpoint inhibitors and targeted agents, many patients-especially those wit...