Shalini Singh

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Comparative QSAR Study on Para‐substituted Aromatic Sulphonamides as CAII Inhibitors: Information versus Topological (Distance‐Based and Connectivity) Indices

P. Khadikar, V. K. Agrawal, C. Supuran, 2008, Chemical biology & drug design.

3D-QSAR CoMFA studies on sulfonamide inhibitors of the Rv3588c β-carbonic anhydrase from Mycobacterium tuberculosis and design of not yet synthesized new molecules

C. Supuran, Shalini Singh, 2014, Journal of enzyme inhibition and medicinal chemistry.

Study on quantitative structure-toxicity relationships of benzene derivatives acting by narcosis.

P. Khadikar, Shalini Singh, A. Shrivastava, 2002, Bioorganic & medicinal chemistry.

Chemometric modeling of breast cancer associated carbonic anhydrase IX inhibitors belonging to the ureido-substituted benzene sulfonamide class

C. Supuran, Shalini Singh, 2014, Journal of enzyme inhibition and medicinal chemistry.

Modeling of the Interaction of Flavanoids with GABA (A) Receptor Using PRECLAV (Property-Evaluation by Class Variables)

P. Khadikar, V. K. Agrawal, B. Shaik, 2011 .

Use of PI Index in Computer-Aided Designing of Bioactive Compounds

P. Khadikar, Sneha Karmarkar, Jyoti Singh, 2006 .

Topological estimation of electronic absorption bands of arene absorption spectra as a tool for modeling their toxicity and environmental pollution.

P. Khadikar, Shalini Singh, D. Mandloi, 2004, Bioorganic & medicinal chemistry letters.

QSAR study on bioconcentration factor (BCF) of polyhalogented biphenyls using the PI index.

P. Khadikar, Shalini Singh, D. Mandloi, 2003, Bioorganic & medicinal chemistry.

Use of the PI index in predicting toxicity of nitrobenzene derivatives.

P. Khadikar, Sneha Karmarkar, Shalini Singh, 2002, Bioorganic & medicinal chemistry.

A Novel Method of Estimating Motor Octane Number (MON) - A Structure Property-Relationship Approach

P. Khadikar, Shalini Singh, A. Shrivastava, 2002 .

In Silico Modeling of Carbonic Anhydrase Inhibitor hCA IX-Tumor Associated (Hypoxia)

Shalini Singh, 2012 .

Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR Investigation

P. Khadikar, V. K. Agrawal, Jyoti Singh, 2008, Chemical biology & drug design.

QSAR studies on the activation of the human carbonic anhydrase cytosolic isoforms I and II and secretory isozyme VI with amino acids and amines.

P. Khadikar, V. K. Agrawal, C. Supuran, 2007, Bioorganic & medicinal chemistry.

Computational deign and QSPR study on carbonic anhydrase mitochondrial isozymes VA inhibitors : As an anti obesity agent†

Shalini Singh, 2021 .

Facile synthesis of rapamycin-peptide conjugates as mTOR and Akt inhibitors.

Shalini Singh, W. Haq, Varsha Singh, 2021, Organic & biomolecular chemistry.

AzaGly‐Appended Peptidomimetics Structurally Related to PTR6154 as Potential PKB/Akt Inhibitors

Shalini Singh, W. Haq, R. Shrivastava, 2017, Chembiochem : a European journal of chemical biology.

Synthesis and biological activity of Ub2 derived peptides as potential host‐directed antitubercular therapy

Shalini Singh, W. Haq, K. Srivastava, 2019, Chemical biology & drug design.

In silico study on the carbonic anhydrase activators : Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines

Shalini Singh, 2021 .

In silico study on the carbonic anhydrase activators : Activation of the human transmembrane isozyme XIV useful in Alzheimer’s disease with amino acids and amines

Shalini Singh, 2021 .

QSPR correlations of half-wave reduction potentials of cata-condensed benzenoid hydrocarbons

A. Balaban, P. Khadikar, V. K. Agrawal, 2006 .

Regioselective Synthesis of Symmetrical and Unsymmetrical Bis(heteroaryl)methane (BHM)-Containing Amino Acids

Shalini Singh, W. Haq, Rafat Ali, 2019, European Journal of Organic Chemistry.

Diastereoselective Synthesis of 5-Heteroaryl-Substituted Prolines Useful for Controlling Peptide-Bond Geometry.

Shalini Singh, W. Haq, R. S. Ampapathi, 2016, Organic letters.

QSARs on human carbonic anhydrase VA and VB inhibitors of some new not yet synthesized, substituted aromatic/heterocyclic sulphonamides as anti-obesity agent

C. Supuran, Shalini Singh, 2012, Journal of enzyme inhibition and medicinal chemistry.

Modeling of novel HIV-1 protease inhibitors incorporating N-Aryl-oxazolidinone-5-carboxamides as P2 ligands using quantum chemical and topological finger print descriptors

Shalini Singh, Sarika Singh, P. Shukla, 2011, Medicinal Chemistry Research.

QSAR study on the inhibition of the human carbonic anhydrase cytosolic isozyme hCA vnt

Shalini Singh, 2021 .

Chemometric modeling on the aromatic sulfonamides inhibitors of the human trans membrane carbonic anhydrase isozymes XIV by CoMFA

Shalini Singh, Mohan Bhushan Kalhanse, 2021 .

3D-QSAR CoMFA Studies on Benzenesulfonamides with Benzimidazole Moieties as Inhibitors of Carbonic Anhydrases XII as Antitumor Agents

Shalini Singh, 2019, Current Enzyme Inhibition.

In Silico Modeling of Carbonic Anhydrase Inhibitor hCA IX-Tumor Associated (Hypoxia)

Shalini Singh, 2012, Proceedings of the National Academy of Sciences, India Section A: Physical Sciences.

QSAR studies for the inhibition of the transmembrane carbonic anhydrase isozyme XIV with sulfonamides using PRECLAV software

P. Khadikar, C. Supuran, A. Scozzafava, 2009 .

In silico modeling of β-carbonic anhydrase inhibitors from the fungus Malassezia globosa as antidandruff agents

C. Supuran, Shalini Singh, 2015, Journal of enzyme inhibition and medicinal chemistry.

Computational design and chemometric QSAR modeling of Plasmodium falciparum carbonic anhydrase inhibitors.

Shalini Singh, 2015, Bioorganic & medicinal chemistry letters.

Chemometric QSAR modeling and in silico design of carbonic anhydrase inhibition of a coral secretory isoform by sulfonamide.

C. Supuran, Shalini Singh, 2013, Bioorganic & medicinal chemistry.

An Integrative Review to Progress the Responsible Development of Nano-Drugs

Shalini Singh, K. Kanny, G. Redhi, 2023, African Journal of Inter/Multidisciplinary Studies.

One‐pot three‐component azide‐alkyne cycloaddition: Synthesis of new pyrazole, 1,2, 3‐triazole , and oxadiazole tethered and their anti‐inflammatory , quantitative structure‐activity relationship, and docking studies

Shalini Singh, B. Kalluraya, B. C. Revanasiddappa, 2020 .

In Silco Molecular Modeling of Chalcone Based Aryloxyethylamines asAntihyperglycemic Agents

Shalini Singh, A. Prasad, R. Pratap, 2017 .

IAP Proteins Antagonist: An Introduction and Chemistry of Smac Mimetics under Clinical Development.

Shalini Singh, W. Haq, Rafat Ali, 2018, Current Medicinal Chemistry.