Abstract
Tuberculosis caused by Mycobacterium tuberculosis is an infectious bacterial disease which is a leading cause of mortality affecting more than 9 million people worldwide. The current standard regimens that are available for the treatment of TB are severely hampered due to the occurrence of multidrug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) strains of Mycobacterium tuberculosis. In the past few years, a huge and constantly expanding effort has been developed to understand the chemical-biological interaction of many new anti-tubercular drugs and their targets in mathematical terms. Here, we have elected to review only those studies concerning 2D and 3D QSAR models that contain different DFT based descriptors as their parameters.
Keywords: Tuberculosis, 2D QSAR, 3D QSAR, DFT.
Current Pharmaceutical Design
Title:DFT Based QSAR/QSPR Models in the Development of Novel Anti-tuberculosis Drugs Targeting Mycobacterium tuberculosis
Volume: 20 Issue: 27
Author(s): Sanchaita Rajkhowa and Ramesh C. Deka
Affiliation:
Keywords: Tuberculosis, 2D QSAR, 3D QSAR, DFT.
Abstract: Tuberculosis caused by Mycobacterium tuberculosis is an infectious bacterial disease which is a leading cause of mortality affecting more than 9 million people worldwide. The current standard regimens that are available for the treatment of TB are severely hampered due to the occurrence of multidrug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) strains of Mycobacterium tuberculosis. In the past few years, a huge and constantly expanding effort has been developed to understand the chemical-biological interaction of many new anti-tubercular drugs and their targets in mathematical terms. Here, we have elected to review only those studies concerning 2D and 3D QSAR models that contain different DFT based descriptors as their parameters.
Export Options
About this article
Cite this article as:
Rajkhowa Sanchaita and Deka C. Ramesh, DFT Based QSAR/QSPR Models in the Development of Novel Anti-tuberculosis Drugs Targeting Mycobacterium tuberculosis, Current Pharmaceutical Design 2014; 20 (27) . https://dx.doi.org/10.2174/1381612819666131118165824
DOI https://dx.doi.org/10.2174/1381612819666131118165824 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
Call for Papers in Thematic Issues
"Tuberculosis Prevention, Diagnosis and Drug Discovery"
The Nobel Prize-winning discoveries of Mycobacterium tuberculosis and streptomycin have enabled an appropriate diagnosis and an effective treatment of tuberculosis (TB). Since then, many newer diagnosis methods and drugs have been saving millions of lives. Despite advances in the past, TB is still a leading cause of infectious disease mortality ...read more
Current Pharmaceutical challenges in the treatment and diagnosis of neurological dysfunctions
Neurological dysfunctions (MND, ALS, MS, PD, AD, HD, ALS, Autism, OCD etc..) present significant challenges in both diagnosis and treatment, often necessitating innovative approaches and therapeutic interventions. This thematic issue aims to explore the current pharmaceutical landscape surrounding neurological disorders, shedding light on the challenges faced by researchers, clinicians, and ...read more
Emerging and re-emerging diseases
Faced with a possible endemic situation of COVID-19, the world has experienced two important phenomena, the emergence of new infectious diseases and/or the resurgence of previously eradicated infectious diseases. Furthermore, the geographic distribution of such diseases has also undergone changes. This context, in turn, may have a strong relationship with ...read more
Melanoma and Non-Melanoma Skin Cancer Treatment: Standard of Care and Recent Advances
In this thematic issue, we aim to provide a standard of care of the diagnosis and treatment of melanoma and non-melanoma skin cancer. The editor will invite authors from different countries who will write review articles of melanoma and non-melanoma skin cancers. The Diagnosis, Staging, Surgical Treatment, Non-Surgical Treatment all ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Toll-Like Receptors and their Role in Renal Pathologies
Inflammation & Allergy - Drug Targets (Discontinued) Heart Score Estimation by Specialized Nurses in a Greek Urban Population
Current Vascular Pharmacology The Long Pentraxin PTX3, a Soluble Pattern Recognition Receptor Involved in Innate Immunity,Inflammation and Female Fertility
Current Immunology Reviews (Discontinued) Tuberculosis Drug Targets
Current Drug Targets Molecular Pathways Involved in Apoptotic Cell Death in the Injured Cochlea: Cues to Novel Therapeutic Strategies
Current Pharmaceutical Design Genome-wide Core Proteome Analysis of Brucella melitensis Strains for Potential Drug Target Prediction
Mini-Reviews in Medicinal Chemistry Cost-Effectiveness of Antiretroviral Therapy for Prevention
Current HIV Research Computational Evidence for the Reactivation Process of Human Acetylcholinesterase Inhibited by Carbamates
Combinatorial Chemistry & High Throughput Screening Heat Shock Protein 90 Inhibitors as Broad Spectrum Anti-Infectives
Current Pharmaceutical Design Opioids and Opioid Maintenance Therapies: Their Impact on Monocyte-Mediated HIV Neuropathogenesis
Current HIV Research Fungal Production and Manipulation of Plant Hormones
Current Medicinal Chemistry Subject Index To Volume 6
Infectious Disorders - Drug Targets Targeting Folate Metabolism in the Human Malaria Parasite Plasmodium falciparum
Current Enzyme Inhibition Synthesis, admetSAR Predictions, DPPH Radical Scavenging Activity, and Potent Anti-mycobacterial Studies of Hydrazones of Substituted 4-(anilino methyl) benzohydrazides (Part 2)
Current Computer-Aided Drug Design Molecular Players in Tuberculosis Drug Development: Another Break in the Cell Wall
Current Medicinal Chemistry Trypanocidal Activity of Nitroaromatic Prodrugs: Current Treatments and Future Perspectives
Current Topics in Medicinal Chemistry Recent Advances and Patents on Solid Lipid Nanoparticles
Recent Patents on Drug Delivery & Formulation HIV Type 1 Subtype A1 Dominates in Armenia
Current HIV Research The Metabolic Syndrome and HIV Infection
Current Pharmaceutical Design Intestinal Fibrosis in Crohns Disease: Medical Treatment or Surgery?
Current Drug Targets