Computer Simulations in the Pharmaceutical Industry: Volume 1
暫譯: 製藥產業中的電腦模擬：第一卷
Gangarapu, Kiran, Reddy Veerareddy, Prabhakar
相關主題
商品描述
The application of computational modeling and simulation has extended beyond PK/PD prediction of clinical trial outcomes by defining regulatory strategy as well as optimization of therapeutic candidates. Further, regulatory agencies are accepting modeling and simulation for approval in special populations, drug-drug interactions, and dosing regimen changes. This volume provides a comprehensive coverage of drug design, chemoinformatics, molecular modeling, and computer-aided formulation development. Computer simulations play a crucial role in the pharmaceutical industry, accelerating drug discovery and development by predicting drug behavior and optimizing systems, thus reducing the need for animal testing.
Key Features
- Illustrates how computer simulations play a crucial role in the pharmaceutical industry, accelerating drug discovery and development.
- PK/PD simulations play a crucial role in optimizing dosing regimens and understanding the time course of drug effects.
- Depicts the role of computers in drug research development, both in clinical and preclinical stage by citing examples of approved FDA drugs.
- Provides case studies detailing the step-by-step process for using software such as Python for programming in the pharmaceutical industry; Gromacs, DataWarrior, AutoDock and Biovia.
- Discusses how artificial intelligence and machine learning can be used to optimize and refine simulation models.
商品描述(中文翻譯)
計算模型和模擬的應用已超越臨床試驗結果的藥物動力學/藥效學（PK/PD）預測，並定義了監管策略以及治療候選藥物的優化。此外，監管機構已開始接受模型和模擬在特殊人群、藥物間相互作用和劑量方案變更中的應用。本書全面涵蓋了藥物設計、化學資訊學、分子建模和電腦輔助配方開發。電腦模擬在製藥行業中扮演著關鍵角色，通過預測藥物行為和優化系統，加速藥物發現和開發，從而減少對動物測試的需求。
主要特點
- 說明電腦模擬在製藥行業中扮演的關鍵角色，加速藥物發現和開發。
- PK/PD 模擬在優化劑量方案和理解藥物效應的時間過程中扮演著重要角色。
- 通過引用已獲得 FDA 批准的藥物示例，描繪電腦在藥物研究開發中的作用，包括臨床和臨床前階段。
- 提供案例研究，詳細說明如何在製藥行業中使用 Python 等軟體進行編程的逐步過程；包括 Gromacs、DataWarrior、AutoDock 和 Biovia。
- 討論如何利用人工智慧和機器學習來優化和改進模擬模型。
作者簡介
Dr. Gangarapu Kiran is an academician in Pharmaceutical Sciences with 18 years of teaching and research experience. He is a Professor at the School of Pharmacy, Anurag University, Telangana, since 2016. He completed his Ph.D from JNTUH (2015) and M.Pharm/B.Pharm from Kakatiya University. He received international travel awards from NumFOCUS (USA), IMSC 2024 (Australia), and a travel grant from ICMR. He is listed in the Top 2% World Scientists (2022 to 2024) by AD Scientific Index, USA. He secured AICTE funding for research on MCT1 inhibitors as anticancer agents. His expertise includes synthesis, spectroscopic characterization, and CADD tools (AutoDock, Biovia, Gromacs, RDKit, Python, etc.). He has strong leadership experience, contributing to 50+ publications and 3 patents through collaborative projects. Dr. Kiran holds an h-index of 18, over 1100 citations, and has published 75 research articles, 8 reviews, 2 books, and book chapters. His research focuses on designing novel anticancer and antiviral agents using structure-based and ligand-based drug design approaches.
Dr. Prabhakar Reddy Veerareddy is an eminent pharmaceutical scientist and Principal of UCPS, Palamuru University since 2013. He holds B.Pharm, M.Pharm, Ph.D, a Post-Doctoral Fellowship from Butler University (USA), and an LLB. He received prestigious fellowships including CSIR-SRF and DST-DAAD (Germany). He has earned multiple international travel grants and global awards (CRS, FIP, InPharm, IPC). His name appears in the Top 2% World Scientists (2023 & 2024) by AD Scientific Index. Dr. Reddy has an h-index of 29, over 2700 citations, two books, one patent, and two funded projects. He has published 80+ research papers and guided 120 M.Pharm and 8 Ph.D scholars. His expertise includes nanoparticles, lipid carriers, novel tablets, transdermal, colon-specific and controlled drug delivery systems. He serves on editorial boards, review committees, ethics committees, and as a resource person for UGC/AICTE. He holds key memberships and leadership roles in IPA, IPS, IPGA, APTI, TRPhA, and the Pharmacy Council of India.
作者簡介(中文翻譯)
甘加拉普·基蘭博士 是一位藥學領域的學者，擁有18年的教學和研究經驗。自2016年以來，他擔任泰倫甘納的安烏拉格大學藥學院教授。他於2015年在JNTUH獲得博士學位，並在卡卡提亞大學獲得藥學碩士及學士學位。他獲得了來自NumFOCUS（美國）、IMSC 2024（澳洲）的國際旅行獎以及ICMR的旅行補助。他在美國AD Scientific Index中被列為全球前2%的科學家（2022至2024年）。他獲得了AICTE的資助，進行有關MCT1抑制劑作為抗癌劑的研究。他的專業領域包括合成、光譜特徵分析以及計算藥物設計工具（AutoDock、Biovia、Gromacs、RDKit、Python等）。他擁有強大的領導經驗，通過合作項目貢獻了50多篇出版物和3項專利。基蘭博士的h指數為18，引用次數超過1100次，已發表75篇研究文章、8篇綜述、2本書及書章。他的研究重點是利用基於結構和基於配體的藥物設計方法設計新型抗癌和抗病毒藥物。
普拉巴卡·雷迪·維拉雷迪博士 是一位著名的藥物科學家，自2013年以來擔任帕拉穆魯大學UCPS的校長。他擁有藥學學士、藥學碩士、博士學位、來自巴特勒大學（美國）的博士後研究獎學金以及法學學位。他獲得了包括CSIR-SRF和DST-DAAD（德國）在內的多項著名獎學金。他獲得了多個國際旅行補助和全球獎項（CRS、FIP、InPharm、IPC）。他的名字出現在美國AD Scientific Index的全球前2%科學家名單中（2023及2024年）。雷迪博士的h指數為29，引用次數超過2700次，擁有兩本書、一項專利和兩個資助項目。他已發表80多篇研究論文，並指導了120名藥學碩士和8名博士生。他的專業領域包括納米顆粒、脂質載體、新型藥片、經皮、結腸特異性及控制釋放藥物遞送系統。他在編輯委員會、審查委員會、倫理委員會中擔任職務，並作為UGC/AICTE的資源人員。他在印度藥學協會（IPA）、印度藥學學會（IPS）、印度藥學研究協會（IPGA）、藥學技術協會（APTI）、特拉普哈（TRPhA）及印度藥學委員會中擔任重要會員及領導角色。
