rational design of potential drugs and computer modelling of molecular processes

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Publications

Publications represent a very important component of the ICS Work Programme. These comprise scientific books, articles and papers published in house or in internationally recognized scientific magazines.

List of latest ICS publications

Paper - 09 October 2009

New molecular scaffolds for the design of Mycobacterium tuberculosis type II dehydroquinase inhibitors identified using ligand and receptor based virtual screening

Paper - 2009

Preliminary interaction model of azadipeptide nitriles inhibitors of plasmodium falciparum Falcipains-3 (FP3)

Paper - 2009

Insight into Selectivity of Peptidomimetic Inhibitors with Modified Statine Core for Plasmepsin II of Plasmodium falciparum over Human Cathepsin D

Paper - 2009

Computer-Assisted Combinatorial Design of Bicyclic Thymidine Analogs as Inhibitors of Mycobacterium tuberculosis Thymidine Monophosphate Kinase

Paper - 2009

Design of peptidomimetic inhibitors of aspartic protease of HIV-1 containing –PheCPro– core and displaying favourable ADME-related properties

Paper - 2009

Design, structure-based focusing and in silico screening of combinatorial library of peptidomimetic inhibitors of Dengue virus NS2B-NS3 protease

Paper - 2009

Design and in silico screening of combinatorial library of antimalarial analogs of triclosan inhibiting Plasmodium falciparum enoyl-acyl carrier protein reductase

Paper - 2009

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza

Paper - 2009

Computer-Assisted Combinatorial Design of Bicyclic Thymidine Analogs as Inhibitors of Mycobacterium tuberculosis Thymidine Monophosphate Kinase

Paper - 2009

Dynamic Behavior of Avian Influenza A Virus Neuraminidase Subtype H5N1 in Complex with Oseltamivir, Zanamivir, Peramivir, and Their Phosphonate Analogues

Paper - 2009

Combinatorial design of avian influenza neuraminidase inhibitors containing pyrrolidine core with a reduced susceptibility to viral drug resistance

Article - 2009

Journal of Antimicrobial Chemotherapy

Article - 2009

Chemical Biology & Drug Design

Article - 2009

International Journal of Molecular Sciences

Proceeding - August 2009

Drug Design and Discovery for Developing Countries