Singla Rajeev K
SERB-Young Scientist/PI, Division of Biotechnology, Netaji Subhas Institute of Technology, Sec-3, Dwarka, New Delhi-110078, India.
Curr Top Med Chem. 2015;15(11):971-2. doi: 10.2174/156802661511150408110453.
Medicinal chemistry is not limited to molecules, their structures and design but also highly cohesive to pharmacological activities. The potency of a molecule varies by its structure. Hence structural activity relationship is the sub-branch which deals with the estimation of ability of a molecule in depicting any pharmacological activity. In silico drug design is a novel technique which is employed in designing a molecule by using computer aided software’s and bringing a superior and potent molecule. In recent years, in silico drug design has been merged with medicinal chemistry especially by the techniques like ligand based strategy to isolate the required structures. By such strategic techniques, there are high chances of delivering high throughput screening which involves of screening large number of molecules in a very less time. Involvement of such techniques would be a boon for development of new drug entity as it can aid in development of newer, safe, effective and potent drug molecules. Hence, the present issue is aimed to emphasize the cohesion between in silico drug design and it significance in medicinal chemistry. The articles which would be published will mainly focus on the role of in silico drug design techniques in the development of molecules to target various disease and disorders. Molecules can from natural/ synthetic/semi synthetic origin. Articles will be a treasure box consisting of employment of computational methods for unprecedented molecules. The issue will be sure an endorsement for international readership and researchers.
药物化学不仅限于分子、其结构和设计，还与药理活性高度相关。分子的效力因其结构而异。因此，构效关系是一个子分支，它涉及评估分子呈现任何药理活性的能力。计算机辅助药物设计是一种新技术，通过使用计算机辅助软件来设计分子，并产生更优质、更有效的分子。近年来，计算机辅助药物设计已与药物化学相结合，特别是通过基于配体的策略等技术来分离所需结构。通过这些战略技术，有很大机会实现高通量筛选，即在极短时间内筛选大量分子。这些技术的应用将对新药实体的开发大有裨益，因为它有助于开发更新、更安全、更有效和更强大的药物分子。因此，本期旨在强调计算机辅助药物设计与它在药物化学中的重要性之间的紧密联系。即将发表的文章将主要关注计算机辅助药物设计技术在开发针对各种疾病和病症的分子中的作用。分子可以来自天然/合成/半合成来源。文章将是一个宝库，包含对前所未有的分子使用计算方法的内容。这个专题肯定会得到国际读者和研究人员的认可。
