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MMsINC: a large-scale chemoinformatics database

Joel Masciocchi, Gianfranco Frau, Marco Fanton, Mattia Sturlese, Matteo Floris, Luca Pireddu, Piergiorgio Palla, Fabian Cedrati, Patricia Rodriguez-Tomé, Stefano Moro
2008 Nucleic Acids Research  
MMsINC is consequently a natural input for different chemoinformatics and virtual screening applications.  ...  MMsINC ( search) is a database of non-redundant, richly annotated and biomedically relevant chemical structures.  ...  QUERYING THE DATABASE The MMsINC database is accessible to the public via our web application.  ... 
doi:10.1093/nar/gkn727 pmid:18931373 pmcid:PMC2686567 fatcat:jxenutenffaajniezfpyte4oom

Navigating Traditional Chinese Medicine Network Pharmacology and Computational Tools

Ming Yang, Jia-Lei Chen, Li-Wen Xu, Guang Ji
2013 Evidence-Based Complementary and Alternative Medicine  
As a new research approach, network pharmacology is based on the analysis of network models and systems biology.  ...  The concept of "network target" has ushered in a new era in the field of traditional Chinese medicine (TCM).  ...  and drug information retrieval chemoinformatics [20] MMsINC A large-scale chemoinformatics database Ingredient and drug chemoinformatics information retrieval  ... 
doi:10.1155/2013/731969 pmid:23983798 pmcid:PMC3747450 fatcat:566jdvzpsfd2zljqooveu6qdyu

Network Pharmacology Approach for Medicinal Plants: Review and Assessment

Fatima Noor, Muhammad Tahir ul Qamar, Usman Ali Ashfaq, Aqel Albutti, Ameen S. S. Alwashmi, Mohammad Abdullah Aljasir
2022 Pharmaceuticals  
This study is attributed to a comprehensive summary of network pharmacology based on current research, highlighting various active ingredients, related techniques/tools/databases, and drug discovery and  ...  The advancement of network pharmacology has opened up new avenues for understanding the complex bioactive components found in various medicinal plants.  ...  Acknowledgments: Researchers would like to thank the Deanship of Scientific Research, Qassim University for funding the publication of this project.  ... 
doi:10.3390/ph15050572 fatcat:awjx7i7jpvh6pahgsxv273rt3e

In Silico Studies in Drug Research Against Neurodegenerative Diseases

Farahnaz Rezaei Makhouri, Jahan B. Ghasemi
2018 Current Neuropharmacology  
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar muscular atrophy are described by slow and selective degeneration of neurons and axons in the central nervous system  ...  Conclusion: Neurodegenerative diseases have a multifactorial pathoetiological origin, so scientists have become persuaded that a multi-target therapeutic strategy aimed at the simultaneous targeting of  ...  (a largescale chemoinformatics database) entries with a leadlikeness profile.  ... 
doi:10.2174/1570159x15666170823095628 pmid:28831921 pmcid:PMC6080098 fatcat:irfiwke6crgtphyqn2iv5wtl6y

Rational design of new protein kinases inhibitors of pharmaceutical interest

Andrea Bortolato, Leonardo Scapozza, Stefano Moro
Virtula screening has been carried out on an in-house database (MMSdatabase) and MMsINC database (  ...  This last one is a free web-oriented database of commercially-available compounds for virtual screening and chemoinformatic applications.  ... 
doi:10.13097/archive-ouverte/unige:84 fatcat:u6yfboexojae3ejg43xhfnqcbi