List of works - Veerabahu Shanmugasundaram

Assessment of the consistency of medicinal chemists in reviewing sets of compounds.

scientific article published in September 2004

Chemical and computational methods for the characterization of covalent reactive groups for the prospective design of irreversible inhibitors

scientific article published on 26 November 2014

Chemotypic coverage: a new basis for constructing screening sublibraries.

scientific article

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.

scientific article published on 24 December 2016

Cyclic Peptide Design Guided by Residual Dipolar Couplings, J-Couplings, and Intramolecular Hydrogen Bond Analysis

scientific article published on 15 January 2019

Delineating the role of cooperativity in the design of potent PROTACs for BTK.

scientific article published on 16 July 2018

Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay.

scientific article

Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging.

scientific article

Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism

scientific article

Distinctive attributes of β-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics

scientific article

Early Insights into the Interactions of Different β-Lactam Antibiotics and β-Lactamase Inhibitors against Soluble Forms of Acinetobacter baumannii PBP1a and Acinetobacter sp. PBP3 ⬇️

scientific article published on August 20, 2012

Estimation of aqueous solubility of organic compounds with QSPR approach.

scientific article

Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation

scientific article

Heterocyclic methylsulfone hydroxamic acid LpxC inhibitors as Gram-negative antibacterial agents

scientific article published on 24 September 2012

Hit-directed nearest-neighbor searching.

scientific article published in January 2005

Inducing protein-protein interactions with molecular glues

scientific article published on 19 April 2018

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter

scientific article

Molecular Basis for Inhibition of the Na+/Citrate Transporter NaCT (SLC13A5) by Dicarboxylate Inhibitors

scientific article published on 28 September 2016

Molecular similarity measures

scientific article published on 01 January 2004

Molecular similarity measures.

scientific article published in January 2011

Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors

scientific article published on 17 June 2014

Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates

scientific article

Novel Methods for Prioritizing "Close-In" Analogs from Structure-Activity Relationship Matrices.

scientific article

Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections ⬇️

scientific article published on July 20, 2012

Pantolactams as androgen receptor antagonists for the topical suppression of sebum production.

scientific article published on 23 July 2011

Potent inhibitors of LpxC for the treatment of Gram-negative infections

scientific article

Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections

scientific article

Pyridone-conjugated monobactam antibiotics with gram-negative activity

scientific article

Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen receptor antagonist devoid of phototoxicity for dermatological indications.

scientific article

Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria

scientific article

Smoothened antagonists for hair inhibition.

scientific article published on 11 June 2010

Strategies for the identification and generation of informative compound sets

scientific article published on 01 January 2004

Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa ⬇️

scientific article published on December 6, 2010

TRPA1 ankyrin repeat six interacts with a small molecule inhibitor chemotype

scientific article published on 14 November 2018

Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization ⬇️

scientific article published on December 16, 2011

List of works by Veerabahu Shanmugasundaram

Assessment of the consistency of medicinal chemists in reviewing sets of compounds.

Chemical and computational methods for the characterization of covalent reactive groups for the prospective design of irreversible inhibitors

Chemotypic coverage: a new basis for constructing screening sublibraries.

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.

Cyclic Peptide Design Guided by Residual Dipolar Couplings, J-Couplings, and Intramolecular Hydrogen Bond Analysis

Delineating the role of cooperativity in the design of potent PROTACs for BTK.

Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay.

Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging.

Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism

Distinctive attributes of β-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics

Early Insights into the Interactions of Different β-Lactam Antibiotics and β-Lactamase Inhibitors against Soluble Forms of Acinetobacter baumannii PBP1a and Acinetobacter sp. PBP3 ⬇️

Estimation of aqueous solubility of organic compounds with QSPR approach.

Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation

Heterocyclic methylsulfone hydroxamic acid LpxC inhibitors as Gram-negative antibacterial agents

Hit-directed nearest-neighbor searching.

Inducing protein-protein interactions with molecular glues

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter

Molecular Basis for Inhibition of the Na+/Citrate Transporter NaCT (SLC13A5) by Dicarboxylate Inhibitors

Molecular similarity measures

Molecular similarity measures.

Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors

Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates

Novel Methods for Prioritizing "Close-In" Analogs from Structure-Activity Relationship Matrices.

Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections ⬇️

Pantolactams as androgen receptor antagonists for the topical suppression of sebum production.

Potent inhibitors of LpxC for the treatment of Gram-negative infections

Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections

Pyridone-conjugated monobactam antibiotics with gram-negative activity

Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen receptor antagonist devoid of phototoxicity for dermatological indications.

Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria

Smoothened antagonists for hair inhibition.

Strategies for the identification and generation of informative compound sets

Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa ⬇️

TRPA1 ankyrin repeat six interacts with a small molecule inhibitor chemotype

Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization ⬇️