In Silico Chemistry and Biology : : Current and Future Prospects / / ed. by Girish Kumar Gupta, Mohammad Hassan Baig.

• Superior document: Title is part of eBook package: De Gruyter DG Plus DeG Package 2022 Part 1
• MitwirkendeR: Ahmad Khan, Mohammad Kalim,; Akhtar, Salman,; Ali, Babar,; Amjad Kamal, Mohammad,; Anthwal, Tulika,; Araújo, Rodrigo S. A. de,; Ashok Sachdeo, Rahul,; Bakchi, Bulti,; Begum, Shaheen,; Bhandare, Richie R.,; Bharathi, Koganti,; Dhawan, Ravi,; Dua, Kamal,; Kumar Gupta, Girish,; Kumar Sigalapalli, Dilep,; Kumar, Dinesh,; Madhavan, Maya,; Mahajan, Ayush,; Mendonça, Francisco J. B.,; Mir, Showkat R,; Mustafa, Sabeena,; Nain, Sumitra,; Osman, Nermin A,; Panwar, Anil,; Sajid Jamal, Qazi Mohammad,; Scotti, Luciana,; Scotti, Marcus T.,; Shaik, Afzal B,; Shams, Saiba,; Sharma, Anil K.,; Sharma, Pooja,; Sharma, Varruchi,; Zubair Shareef, Mohammad,
• HerausgeberIn: Baig, Mohammad Hassan,; Kumar Gupta, Girish ,
• Place / Publishing House: Berlin ;, Boston : : De Gruyter, , [2022]; ©2022
• Year of Publication: 2022
• Language: English
• Physical Description: 1 online resource (XIII, 197 p.)

In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many success...

Table of Contents

• Frontmatter
• Contents
• List of contributing authors
• 1 Pharmaceutical interest of in-silico approaches
• 2 Novel drug design and bioinformatics: an introduction
• 3 In silico drug design: application and success
• 4 Protein modeling
• 5 Fragment based drug design
• 6 An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents
• 7 Molecular docking and MD: mimicking the real biological process
• 8 Molecular docking studies of tea (Thea sinensis Linn.) polyphenols inhibition pattern with Rat P-glycoprotein
• 9 Statistical methods for in silico tools used for risk assessment and toxicology
• 10 Systems biology–the transformative approach to integrate sciences across disciplines
• Index