Volume 2 Computational Drug Delivery: Molecular Simulation for Pharmaceutical Formulation

Enjoy 40% off

academic books on De Gruyter Brill *

Book

Volume 2 Computational Drug Delivery

Molecular Simulation for Pharmaceutical Formulation

Edited by: Pooja A. Chawla , Dilpreet Singh , Kamal Dua , Muralikrishnan Dhanasekaran and Viney Chawla

Part of the multi-volume work

Computational Drug Discovery and Delivery

Language: English

Published/Copyright: 2024

Published by

Become an author with De Gruyter Brill

How to publish with us

About this book

The book bridges the gap between pharmaceutics and molecular modelling at the micro, meso and macro scale. It covers Lipinski's rule of five, nanoparticulate drug delivery, computational prediction of drug solubility and ability to cross blood brain barrier, computer-based simulation of pharmacokinetic parameters, virtual screening of mucoadhesive polymers, QSPR modelling, designing of 2D nanomaterials and role of principal component analysis.

Computer-aided development of innovative, efficient and safe pharmaceutical formulations.
Case studies of computer applications in formulation designing and characterization.
Excellent read for researchers and students in the field of drug delivery.

Author / Editor information

P. A. Chawla, BFUHS, India; D. Singh, CU, India; K. Dua, ARCCIM, Australia; M. Dhanasekaran, AU, USA; V. Chawla, UIPSR, India.

Topics

Frontmatter Publicly Available Download PDF	I
Contents Publicly Available Download PDF	V
1 Introduction to computer simulations in drug delivery: current strategies and future prospects Viney Chawla, Dilpreet Singh, Pooja A. Chawla and Kamal Dua Requires Authentication Unlicensed Licensed	1
2 The role of multiscale approaches for the rational design of nanoparticulate drug delivery system: recent advances Ram Babu Sharma, Sakshi Tomar, Swati Kaushal and Amardeep Kaur Requires Authentication Unlicensed Licensed	19
3 The utilization of descriptors in convoluted Lipinski’s rule of five Bharti Sapra, Mohit Motiwale, Himanshu Verma and Om Silakari Requires Authentication Unlicensed Licensed	39
4 Computer-aided pharmacokinetic functions for extravascular route for oral drug delivery system Sunil Kumar Kadiri, Dhritija Sathavalli and Prashant Tiwari Requires Authentication Unlicensed Licensed	71
5 Computational approaches to the prediction of the blood–brain distribution and design of targeted drugs Sarwal Amita, Bharti Sunil and T. V. S. Padmajyoti Requires Authentication Unlicensed Licensed	87
6 Computational methods in the pragmatic development of nanoemulsions, polymeric micelles, and dendrimers for drug delivery Viney Chawla, Malti Arya, Madhuri Verma, Sarita K. Yadav, Pranay Wal and Pooja A. Chawla Requires Authentication Unlicensed Licensed	113
7 Virtual screening of mucoadhesive polymers for the development of efficient drug delivery system: current approaches Gowtham Menon, Rutuja Vilas Nikam, Sachin S. Gaikwad and Hemant U. Chikhale Requires Authentication Unlicensed Licensed	127
8 QbD and artificial intelligence in nanoparticulate drug delivery systems: recent advances Neha Jain, Shreya Kaul, Triveni, Aarushi Kaith, Aditi Sinha, Tanya Mathur, Manisha Pandey and Upendra Nagaich Requires Authentication Unlicensed Licensed	163
9 Nanotoxicity prediction in nanotechnology-driven drugs using QSPR modeling Pooja A. Chawla, Reyaz Hassan Mir, Apporva Chawla, Prince Ahad Mir, Md Sadique Hussain, Sameena Ramzan, Tooba Dedmari and Roohi Mohi-ud-din Requires Authentication Unlicensed Licensed	183
10 Molecular simulations strategies for designing 2D nanomaterials for drug delivery applications Md Aftab Alam, Shivang Dhoundiyal, Sumbul Shadab, Sakshi Sagar, Shikha Yadav and Niyaz Ahmad Requires Authentication Unlicensed Licensed	221
11 Applications and molecular simulation strategies for excipient–excipient compatibility Md Aftab Alam, Aditya Sharma, Sakshi Sagar, Manjeet Kaur, Pramod Kumar Sharma and Tarique Anwer Requires Authentication Unlicensed Licensed	247
12 Application of simulation system for selection of nanocarrier for biopharmaceutically challenging pharmaceuticals Narahari Narayan Palei, Abhishek Singh, Seema Yadav and Biswa Mohan Sahoo Requires Authentication Unlicensed Licensed	269
13 Applications and challenges in molecular dynamic simulations in polymeric nanoparticle drug delivery systems Sankha Bhattacharya Requires Authentication Unlicensed Licensed	307
14 Role of principal component analysis in drug formulation and delivery Rania M. Hathout Requires Authentication Unlicensed Licensed	331
15 Computational approaches for predicting drug solubility and permeability in pharmaceutical formulation Vimal Arora, Payal Mittal and Sanjay Kumar Elisetti Requires Authentication Unlicensed Licensed	347
16 Molecular simulations and process modeling of tableting technology: recent advances and future insights Neha Jain, Manisha Pandey, Deepika, Unnati Garg, Triveni, Sakshi Malhotra, Jatin Rathee, Shreya Kaul and Upendra Nagaich Requires Authentication Unlicensed Licensed	369
17 Molecular simulation-based technology for antibody–drug conjugates for tumor targeting: current scenario and future insights Narahari Narayan Palei, Abhishek Singh, Seema Yadav and Biswa Mohan Sahoo Requires Authentication Unlicensed Licensed	383
Index Requires Authentication Unlicensed Licensed	437

Publishing information

Pages and Images/Illustrations in book

eBook published on:

October 7, 2024

eBook ISBN:

9783111208671

Hardcover published on:

October 7, 2024

Hardcover ISBN:

9783111208640

Pages and Images/Illustrations in book

Front matter:

7

Main content:

440

Illustrations:

10

Coloured Illustrations:

53

Tables:

21

https://doi.org/10.1515/9783111208671

eBook ISBN: 9783111208671

Hardcover ISBN: 9783111208640

Keywords for this book

Computational Approaches; Artificial Intelligence; Machine learning; Drug Formulation; Nanoscale; Bioavailability

Audience(s) for this book

Researchers, students, R&D Scientists in drug delivery, pharmacists and medical professionals.

Safety & product resources

Manufacturer information:
Walter de Gruyter GmbH
Genthiner Straße 13
10785 Berlin
productsafety@degruyterbrill.com

Volume 2 Computational Drug Delivery

Overview

About this book

Author / Editor information

Topics

Table of contents

Bibliographic data