{"product_id":"structure-and-reactivity-of-few-anti-tb-drug-molecules-a-density-functional-theory-approach-von-kalyan-kr-hazarika","title":"Structure and Reactivity of few Anti-TB Drug Molecules","description":"\u003cp\u003eComputer-aided drug design have emerged as a promising alternative tool to replace the conventional complex, expensive and very time consuming way of designing and development of new potential drugs. In this book, the author presents a comprehensive coverage of the topic with special emphasis on investigation of structure and properties of few organic bio-active molecules having anti-tubercular activities using several molecular modeling techniques. The key features of this book are: Focuses on quantum chemical calculations performed to determine the structure and reactivity of two of the most commonly used anti-tubercular drug molecules INH, PZA including MHI which is a novel natural analogue of INH. This book also gives a detailed insight into the mode of interaction of INH that involves binding of isoniazid-NAD adducts to the active site of Mycobacterium tuberculosis enoyl-ACP reductase (InhA) studied using docking and quantum mechanics\/molecular mechanics (QM\/MM) approaches. The book should be of help to the research students working in the field of drug designing especially using molecular modelling techniques.\u003c\/p\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783659909795\"\u003e\u003ch3\u003eA Density Functional Theory Approach\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Softcover - 9783659909795","offer_id":39435193483357,"sku":"9783659909795","price":49.9,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/36f6f10c-8a13-41f2-8fb5-6abee3a9c9b8.jpg?v=1773295436","url":"https:\/\/shop.autorenwelt.de\/products\/structure-and-reactivity-of-few-anti-tb-drug-molecules-a-density-functional-theory-approach-von-kalyan-kr-hazarika","provider":"Autorenwelt Shop","version":"1.0","type":"link"}