Discovery of novel potential selective HDAC8 inhibitors by combine ligand-based, structure-based virtual screening and in-vitro biological evaluation
Debnath, Sudhan, Debnath, Tanusree, Bhaumik, Samhita, Majumdar, Swapan, Kalle, Arunasree M., Aparna, Vema
Published in Scientific reports (20.11.2019)
Published in Scientific reports (20.11.2019)
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Journal Article
Identification of novel HDAC8 selective inhibitors through ligand and structure based studies: Exploiting the acetate release channel differences among class I isoforms
Vema, Aparna, Debnath, Sudhan, Kalle, Arunasree M.
Published in Arabian journal of chemistry (01.06.2022)
Published in Arabian journal of chemistry (01.06.2022)
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Journal Article
A combined pharmacophore modeling, 3D QSAR, virtual screening, molecular docking, and ADME studies to identify potential HDAC8 inhibitors
Debnath, Sudhan, Debnath, Tanusree, Majumdar, Swapan, Arunasree, M. K., Aparna, Vema
Published in Medicinal chemistry research (01.11.2016)
Published in Medicinal chemistry research (01.11.2016)
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Journal Article
Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
Grinkevich, Vera V, Vema, Aparna, Fawkner, Karin, Issaeva, Natalia, Andreotti, Virginia, Dickinson, Eleanor R, Hedström, Elisabeth, Spinnler, Clemens, Inga, Alberto, Larsson, Lars-Gunnar, Karlén, Anders, Wilhelm, Margareta, Barran, Perdita E, Okorokov, Andrei L, Selivanova, Galina, Zawacka-Pankau, Joanna E
Published in Frontiers in molecular biosciences (01.06.2022)
Published in Frontiers in molecular biosciences (01.06.2022)
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Journal Article
Identification of potent histone deacetylase 8 inhibitors using pharmacophore-based virtual screening, three-dimensional quantitative structure-activity relationship, and docking study
Debnath, Tanusree, Majumdar, Swapan, Kalle, Arunasree M, Aparna, Vema, Debnath, Sudhan
Published in Research and reports in medicinal chemistry (01.01.2015)
Published in Research and reports in medicinal chemistry (01.01.2015)
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Journal Article
P2–P1′ macrocyclization of P2 phenylglycine based HCV NS3 protease inhibitors using ring-closing metathesis
Lampa, Anna, Ehrenberg, Angelica E., Vema, Aparna, Åkerblom, Eva, Lindeberg, Gunnar, Helena Danielson, U., Karlén, Anders, Sandström, Anja
Published in Bioorganic & medicinal chemistry (15.08.2011)
Published in Bioorganic & medicinal chemistry (15.08.2011)
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Journal Article
Discovery of achiral inhibitors of the hepatitis C virus NS3 protease based on 2(1 H)-pyrazinones
Örtqvist, Pernilla, Gising, Johan, Ehrenberg, Angelica E., Vema, Aparna, Borg, Anneli, Karlén, Anders, Larhed, Mats, Danielson, U. Helena, Sandström, Anja
Published in Bioorganic & medicinal chemistry (01.09.2010)
Published in Bioorganic & medicinal chemistry (01.09.2010)
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Journal Article
Improved P2 phenylglycine-based hepatitis C virus NS3 protease inhibitors with alkenylic prime-side substituents
Lampa, Anna, Ehrenberg, Angelica E., Gustafsson, Sofia S., Vema, Aparna, Åkerblom, Eva, Lindeberg, Gunnar, Karlén, Anders, Danielson, U. Helena, Sandström, Anja
Published in Bioorganic & medicinal chemistry (15.07.2010)
Published in Bioorganic & medicinal chemistry (15.07.2010)
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Journal Article
Structure-activity relationships of HCV NS3 protease inhibitors evaluated on the drug-resistant variants A156T and D168V
ÖRTQVIST, Pernilla, VEMA, Aparna, EHRENBERG, Angelica E, DAHL, Göran, RÖNN, Robert, AKERBLOM, Eva, KARLEN, Anders, DANIELSON, U. Helena, SANDSTRÖM, Anja
Published in Antiviral therapy (01.01.2010)
Published in Antiviral therapy (01.01.2010)
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Journal Article
Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA)
Thilagavathi, Ramasamy, Kumar, Raj, Aparna, Vema, Sobhia, M. Elizabeth, Gopalakrishnan, Bulusu, Chakraborti, Asit K.
Published in Bioorganic & medicinal chemistry letters (15.02.2005)
Published in Bioorganic & medicinal chemistry letters (15.02.2005)
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Journal Article
Design of EGFR kinase inhibitors: A ligand-based approach and its confirmation with structure-based studies
Vema, Aparna, Panigrahi, Sunil K., Rambabu, G., Gopalakrishnan, B., Sarma, J.A.R.P., Desiraju, Gautam R.
Published in Bioorganic & medicinal chemistry (15.10.2003)
Published in Bioorganic & medicinal chemistry (15.10.2003)
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Journal Article
Novel allosteric mechanism of dual p53/MDM2 and p53/MDM4 inhibition by a small molecule
Grinkevich, Vera, Vema Aparna, Fawkner, Karin, Issaeva, Natalia, Andreotti, Virginia, Dickinson, Eleanor R, Hedstrom, Elisabeth, Spinnler, Clemens, Inga, Alberto, Larsson, Lars-Gunnar, Karlen, Anders, Wilhelm, Margareta, Barran, Perdita, Okorokov, Andrei, Selivanova, Galina, Zawacka-Pankau, Joanna Elzbieta
Published in bioRxiv (24.12.2021)
Published in bioRxiv (24.12.2021)
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Paper
Novel allosteric mechanism of p53 activation by small molecules for targeted anticancer therapy
Zawacka-Pankau, Joanna, Grinkevich, Vera V, Burmakin, Mikhail, Vema, Aparna, Fawkner, Karin, Issaeva, Natalia, Andreotti, Virginia, Dickinson, Eleanor R, Hedstrom, Elisabeth, Spinnler, Clemens, Inga, Alberto, Larsson, Lars-Gunnar, Karlen, Anders, Tarasova, Olga, Poroikov, Vladimir, Lavrenov, Sergey, Preobrazhenskaya, Maria, Barran, Perdita E, Okorokov, Andrei L, Selivanova, Galina
Published in bioRxiv (07.12.2018)
Published in bioRxiv (07.12.2018)
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Paper