Combining Computational Methods for Hit to Lead Optimization in Mycobacterium Tuberculosis Drug Discovery
نویسندگان
چکیده
منابع مشابه
Hit discovery and hit-to-lead approaches.
Hit discovery technologies range from traditional high-throughput screening to affinity selection of large libraries, fragment-based techniques and computer-aided de novo design, many of which have been extensively reviewed. Development of quality leads using hit confirmation and hit-to-lead approaches present their own challenges, depending on the hit discovery method used to identify the init...
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High-throughput screening (HTS) in whole cells is widely pursued to find compounds active against Mycobacterium tuberculosis (Mtb) for further development towards new tuberculosis (TB) drugs. Hit rates from these screens, usually conducted at 10 to 25 µM concentrations, typically range from less than 1% to the low single digits. New approaches to increase the efficiency of hit identification ar...
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The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has mad...
متن کاملComputational methods in drug discovery.
Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Str...
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Tuberculosis remains a major public health problem in both developing and developed countries. Drug-resistant tuberculosis is an increasing health problem and serious challenge to tuberculosis (TB) control programs. Information about the susceptibility pattern of Mycobacterium tuberculosis isolates against anti-tuberculosis drugs is an important aspect to TB control. The objectives of the s...
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ژورنال
عنوان ژورنال: Pharmaceutical Research
سال: 2013
ISSN: 0724-8741,1573-904X
DOI: 10.1007/s11095-013-1172-7