{"product_id":"9789819641567","title":"Applications of Computational Tools in Drug Design and Development","description":"\u003ch1\u003eApplications of Computational Tools in Drug Design and Development\u003c\/h1\u003e\u003ch3\u003eS.N. Koteswara Rao G. | Rajasekhar Reddy Alavala\u003c\/h3\u003e\u003cdiv\u003e\u003cb\u003eMedical \/ Pharmacology\u003c\/b\u003e\u003c\/div\u003e\u003cbr\u003e\u003cdiv\u003e\n\u003cdiv class=\"OutlineElement Ltr SCXW31447768 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW31447768 BCX8\"\u003e\u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eThis book provides a comprehensive overview of the role of computers and computational tools at \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003edifferent stages\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e of drug discovery and development. Designed to meet the needs of a beginner to advanced learner, the book provides the information on the tools, how they work, with the latest reports on applications in drug design, drug delivery and building network pharmacology models.\u003c\/span\u003e\u003c\/span\u003e \u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e \u003c\/span\u003e\u003c\/span\u003e\u003cspan class=\"EOP SCXW31447768 BCX8\" data-ccp-props='{\"335559685\":720,\"335559738\":240,\"335559739\":240}'\u003e \u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\r\n\u003cdiv class=\"OutlineElement Ltr SCXW31447768 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW31447768 BCX8\"\u003e\u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003ePart I explores the pharmacological aspects, covering computational simulation of drug delivery at the molecular level, \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW31447768 BCX8\"\u003emodeling\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e for formulation design, and the revolutionary use of computational fluid dynamics in pharmaceutical processes. Specific applications such as pharmaceutical die filling processes, inhalation aerosol-based targeted drug delivery, and the development of inhalation compounds using in silico \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW31447768 BCX8\"\u003emodeling\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e tools are discussed. The use of computational tools in cheminformatics and their application in \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW31447768 BCX8\"\u003epreformulation\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e perspectives for drug delivery are also included\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e. \u003c\/span\u003e\u003c\/span\u003e\u003cspan class=\"EOP SCXW31447768 BCX8\" data-ccp-props='{\"335559685\":720,\"335559738\":240,\"335559739\":240}'\u003e \u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\r\n\u003cdiv class=\"OutlineElement Ltr SCXW31447768 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW31447768 BCX8\"\u003e\u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003ePart II expands the scope to include solubility prediction, absorption prediction, protein binding prediction, bio-permeability prediction, toxicity prediction, and metabolism prediction. \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eIt\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e covers the identification of potential sites of metabolism in lead molecules and computer-assisted simulation studies to understan\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003ed\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e drug-polymer interactions. Recent advances in drug likeness screening using software and online tools are also reviewed.\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e \u003c\/span\u003e\u003c\/span\u003e\u003cspan class=\"EOP SCXW31447768 BCX8\" data-ccp-props='{\"335559685\":720,\"335559738\":240,\"335559739\":240}'\u003e \u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\r\n\u003cdiv class=\"OutlineElement Ltr SCXW31447768 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW31447768 BCX8\"\u003e\u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eP\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eart\u003c\/span\u003e\u003c\/span\u003e \u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eIII focuses on specific therapeutic areas. \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eThe chapters examine the mechanistic understanding of anti-Alzheimer's agents, the design of novel antidiabetic agents, and the exploration of drug design for atherosclerosis. It also covers modern computational intelligence-based drug repurposing for cancer therapeutics, computational analyses of the mechanism of action of antiepileptic agents, and rational approaches for designing antihypertensive agents. The final chapters explore drug discovery and computational strategies in the context of\u003c\/span\u003e \u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003emulti-drug-resistant tuberculosis and the network pharmacology approach to uncover the pharmacological mechanisms of natural products.\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e \u003c\/span\u003e\u003c\/span\u003e\u003cspan class=\"EOP SCXW31447768 BCX8\" data-ccp-props='{\"335559685\":720,\"335559738\":240,\"335559739\":240}'\u003e \u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\r\n\u003cdiv class=\"OutlineElement Ltr SCXW31447768 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW31447768 BCX8\"\u003e\u003cspan class=\"TextRun SCXW31447768 BCX8\" lang=\"EN-GB\" xml:lang=\"EN-GB\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003eThe book will be a useful reference for researchers, \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003estudents\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e and professionals in the field of life sciences, chemistry, \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003epharmaceutics\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW31447768 BCX8\"\u003e and bioinformatics.\u003c\/span\u003e\u003c\/span\u003e\u003cspan class=\"EOP SCXW31447768 BCX8\" data-ccp-props='{\"335559685\":720,\"335559738\":240,\"335559739\":240}'\u003e \u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\n\u003c\/div\u003e\u003cdiv\u003e\n\u003cdiv class=\"OutlineElement Ltr SCXW112369128 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW112369128 BCX8\"\u003e\u003cspan class=\"TextRun SCXW112369128 BCX8\" lang=\"EN-US\" xml:lang=\"EN-US\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eDr. SN \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW112369128 BCX8\"\u003eKoteswara\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e Rao G., \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW112369128 BCX8\"\u003eM.Pharm\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e., Ph.D., MBA, is a Professor and Head at \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW112369128 BCX8\"\u003eShobhaben\u003c\/span\u003e \u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW112369128 BCX8\"\u003ePratapbhai\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e Patel School of Pharmacy \u0026amp; Technology Management (SPPSPTM), SVKM’s NMIMS University, Mumbai, India. Dr. Rao is a gold medalist and specialize\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003ed\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e in pharmaceutical sciences with a strong focus on novel drug delivery systems, nanotechnology-based formulations, and pharmacokinetics. H\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003ee handled multiple funding research projects and industry consultancy works. \u003c\/span\u003e\u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\r\n\u003cdiv class=\"OutlineElement Ltr SCXW112369128 BCX8\"\u003e\r\n\u003cp class=\"Paragraph SCXW112369128 BCX8\"\u003e\u003cspan class=\"TextRun SCXW112369128 BCX8\" lang=\"EN-US\" xml:lang=\"EN-US\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eDr. Rajasekhar Reddy \u003c\/span\u003e\u003cspan class=\"NormalTextRun SpellingErrorV2Themed SCXW112369128 BCX8\"\u003eAlavala\u003c\/span\u003e\u003c\/span\u003e \u003cspan class=\"TextRun SCXW112369128 BCX8\" lang=\"EN-US\" xml:lang=\"EN-US\" data-contrast=\"auto\"\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003ei\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003es\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e as an Assistant Professor in the Department of Pharmaceutical Chemistry, SPPSPTM\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e, SVKM’s \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eNMIMS, Mumbai\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e. \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eDr. Reddy is an experienced \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eacademic \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eresearcher specializing in \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003ePharmaceutical and Medicinal C\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003ehemistry, with a focus on drug design, synthesis, and evaluation\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e in\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e Alzheimer's disease\u003c\/span\u003e \u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eand\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e anticancer therapeutics\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e. \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eHe has an extensive portfolio of publications in reputable peer-reviewed journals\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e of Springer, Elsevier, Wiley, Taylor \u0026amp; \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eFrancis\u003c\/span\u003e \u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eand Bentham Publishers\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e. Additionally, he \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003eis part of \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003emultiple funded research projects and collaborated on \u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003enumerous\u003c\/span\u003e\u003cspan class=\"NormalTextRun SCXW112369128 BCX8\"\u003e industry consultancy initiatives.\u003c\/span\u003e\u003c\/span\u003e\u003cspan class=\"EOP SCXW112369128 BCX8\" data-ccp-props='{\"335551550\":6,\"335551620\":6,\"335559685\":720,\"335559738\":240,\"335559739\":240}'\u003e \u003c\/span\u003e\u003c\/p\u003e\r\n\u003c\/div\u003e\n\u003c\/div\u003e\u003cbr\u003e\u003ctable\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublication Date: \u003c\/td\u003e\n\u003ctd\u003e22 May 2026\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublisher: \u003c\/td\u003e\n\u003ctd\u003eSpringer Nature Singapore\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eImprint: \u003c\/td\u003e\n\u003ctd\u003eSpringer\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eISBN-13: \u003c\/td\u003e\n\u003ctd\u003e9789819641567\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eFormat: \u003c\/td\u003e\n\u003ctd\u003eMultiple \/ component \/ retail \/ product\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePage Count: \u003c\/td\u003e\n\u003ctd\u003e1022\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003c\/table\u003e","brand":"Springer Nature Singapore","offers":[{"title":"Default Title","offer_id":51033324060812,"sku":"9789819641567","price":152.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0710\/9545\/1788\/files\/9789819641567.jpg?v=1782488811","url":"https:\/\/fh90cf-fv.myshopify.com\/products\/9789819641567","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}