Frontiers in Drug Design and Discovery: Volume 12M. Iqbal Choudhary Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field. Volume 12 of this series brings together reviews covering homology modeling and anti-infective drug discovery. Topics included in this volume are: - Homology Modelling: A Computational Tool in Drug Design and Discovery - Anti-trypanosomatid Drugs/Candidates in Clinical Trials: What's New and What's Missing? - Nitroheterocyclics As Anti-Tuberculosis Agents: An Overview - SARS-CoV-2 Protease Inhibitors of Natural Origin: Current Scenario and Future Prospects as Anti-COVID-19 Agents. |
Contents
A Computational Tool in Drug Design and Discovery | 1 |
Whats New and Whats Missing? | 33 |
An Overview | 96 |
Current Scenario and Future Prospects as AntiCOVID19 Agents | 175 |
| 226 | |
Common terms and phrases
activity algorithm amino acids Antimicrob Agents Chemother antimony antitubercular benznidazole benzothiazinones benzoxaboroles binding affinity Bioorg Med Chem bonds brucei cell Chagas disease Chem Lett clinical trial compounds cutaneous leishmaniasis database delamanid derivatives DNDi dose DprE1 drug discovery effects efficacy electron enzyme evaluation FASTA H-bonds H-phobic homology modelling infection inhibition inhibitors interactions kcal/mol with Mpro M.sm M.tb main protease Mechanism of Action Meglumine Antimoniate metabolism metabolites method mg/d mg/kg mg/kg/d Miltefosine molecular molecules Mpro PDB ID multiple sequence alignment Mycobacterium tuberculosis Nifurtimox Nitazoxanide nitro group nitroaromatic nitrofuran nitroimidazole nitroreductase novel OH OH OH oral oxide parasite Paromomycin pathway patients Pentoxifylline pharmacokinetic phase PMID Posaconazole potential pretomanid protein Ravuconazole redox reduced regimen replicating residues resistance ring scaffold score similar substitution synthesis template toxicity treatment visceral leishmaniasis vitro vivo µg/mL