LEADER 04956nam 22007815 450 001 9910725088603321 005 20230512080206.0 010 $a9789819913169$b(electronic bk.) 010 $z9789819913152 024 7 $a10.1007/978-981-99-1316-9 035 $a(MiAaPQ)EBC7248750 035 $a(Au-PeEL)EBL7248750 035 $a(DE-He213)978-981-99-1316-9 035 $a(BIP)088809192 035 $a(PPN)270616861 035 $a(CKB)26637852100041 035 $a(EXLCZ)9926637852100041 100 $a20230512d2023 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aCADD and Informatics in Drug Discovery /$fedited by Mithun Rudrapal, Johra Khan 205 $a1st ed. 2023. 210 1$aSingapore :$cSpringer Nature Singapore :$cImprint: Springer,$d2023. 215 $a1 online resource (370 pages) 225 1 $aInterdisciplinary Biotechnological Advances,$x2730-7077 311 08$aPrint version: Rudrapal, Mithun CADD and Informatics in Drug Discovery Singapore : Springer Singapore Pte. Limited,c2023 9789819913152 320 $aIncludes bibliographical references. 327 $aChapter 1: Fundamentals of Computational Drug Design Approaches (CADD) -- Chapter 2: Molecular and Computational Modeling in Drug Design -- Chapter 3: Bioinformatics/Chemo-informatics Tools and Database in Drug Discovery -- Chapter 4: Computational Screening of Phytochemicals/Natural Products in Drug Discovery -- Chapter 5: Virtual Screening in Lead Discovery and Optimization -- Chapter 6: Target-based Screening (SBDD) in Lead Discovery -- Chapter 7: Pharmacophore-based and Similarity Search (LBDD) Screening in Lead Discovery -- Chapter 8: Receptor-based De Novo and Fragment-based Drug Design -- Chapter 9: Artificial Intelligence and Machine Learning in Drug Discovery -- Chapter 10: Network Pharmacology and System Biology Approaches -- Chapter 11: In Silico Pharmacology and Drug Repurposing Approaches -- Chapter 12: Advances in Bioinformatics and Computational Approaches in Drug Discovery -- Chapter 13: Challenges in Bioinformatics and Computational Approaches in Drug Discovery. 330 $aThis book updates knowledge on recent advances in computational and bioinformatics tools/techniques and their practical applications in modern drug design and discovery programme. Also it encompasses fundamental principles, advanced methodologies and applications of various CADD approaches including several cutting-edge areas; presenting recent developments covering ongoing trends in the field of computer-aided drug discovery. Having contributions by a global team of experts, the book is expected to be an ideal resource for drug discovery scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, biologists, R&D personnel, researchers, students, teachers and those working in the field of drug discovery. It will fill the knowledge gaps that exist in the current CADD approaches and methodologies/ protocols being widely used in both academic and research practices. Further, a special focus on current status of various computational drug design approaches (SBDD, LBDD, De-novo drug design, Pharmacophore-based search), bioinformatics tools and databases, computational screening and modeling of phytochemicals/natural products, artificial intelligence and machine learning, and network pharmacology and system biology would certainly guide researchers, students or readers to conduct their research in the emerging area(s) of interest. It is also expected to be highly beneficial to different stakeholders working in the pharmaceutical and biotechnology industries (R&D), the academic as well as research sectors. . 410 0$aInterdisciplinary Biotechnological Advances,$x2730-7077 606 $aBiology 606 $aBioinformatics 606 $aMedicine?Research 606 $aBiology?Research 606 $aPharmacy 606 $aDrugs?Design 606 $aBiotechnology 606 $aBiological Sciences 606 $aBioinformatics 606 $aBiomedical Research 606 $aPharmacy 606 $aStructure-Based Drug Design 606 $aBiotechnology 615 0$aBiology. 615 0$aBioinformatics. 615 0$aMedicine?Research. 615 0$aBiology?Research. 615 0$aPharmacy. 615 0$aDrugs?Design. 615 0$aBiotechnology. 615 14$aBiological Sciences. 615 24$aBioinformatics. 615 24$aBiomedical Research. 615 24$aPharmacy. 615 24$aStructure-Based Drug Design. 615 24$aBiotechnology. 676 $a615.1900285 702 $aRudrapal$b Mithun 702 $aKhan$b Johra 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 912 $a9910725088603321 996 $aCADD and Informatics in Drug Discovery$93367528 997 $aUNINA