Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach

por Lam, Polo C.-H., Abagyan, Ruben, Totrov, Maxim
Publicado en J Comput Aided Mol Des (2017)

Elucidation of the Molecular Basis of Cholecystokinin Peptide Docking to Its Receptor Using Site-Specific Intrinsic Photoaffinity Labeling and Molecular Modeling

por Dong, Maoqing, Lam, Polo C.-H., Pino, Delia I., Abagyan, Ruben, Miller, Laurence J.
Publicado 2009

Spatial Approximation between Secretin Residue Five and the Third Extracellular Loop of Its Receptor Provides New Insight into the Molecular Basis of Natural Agonist Binding

por Dong, Maoqing, Lam, Polo C.-H., Pinon, Delia I., Sexton, Patrick M., Abagyan, Ruben, Miller, Laurence J.
Publicado 2008

Use of Cysteine Trapping to Map Spatial Approximations between Residues Contributing to the Helix N-capping Motif of Secretin and Distinct Residues within Each of the Extracellular...

por Dong, Maoqing, Lam, Polo C.-H., Orry, Andrew, Sexton, Patrick M., Christopoulos, Arthur, Abagyan, Ruben, Miller, Laurence J.
Publicado en J Biol Chem (2016)

Role of Lysine(187) Within the Second Extracellular Loop of the Type A Cholecystokinin Receptor in Agonist-Induced Activation. Use of Complementary Charge-Reversal Mutagenesis to D...

por Dong, Maoqing, Ding, Xi-Qin, Thomas, Scott E., Gao, Fan, Lam, Polo C.-H., Abagyan, Ruben, Miller, Laurence J.
Publicado 2007

Secretin Occupies a Single Protomer of the Homodimeric Secretin Receptor Complex: INSIGHTS FROM PHOTOAFFINITY LABELING STUDIES USING DUAL SITES OF COVALENT ATTACHMENT

por Dong, Maoqing, Lam, Polo C.-H., Pinon, Delia I., Orry, Andrew, Sexton, Patrick M., Abagyan, Ruben, Miller, Laurence J.
Publicado 2010

Refinement of Glucagon-like Peptide 1 Docking to Its Intact Receptor Using Mid-region Photolabile Probes and Molecular Modeling

por Miller, Laurence J., Chen, Quan, Lam, Polo C.-H., Pinon, Delia I., Sexton, Patrick M., Abagyan, Ruben, Dong, Maoqing
Publicado 2011

Molecular mechanism of action of triazolobenzodiazepinone agonists of the type 1 cholecystokinin receptor. Possible cooperativity across the receptor homo-dimeric complex

por Desai, Aditya J., Lam, Polo C.H., Orry, Andrew, Abagyan, Ruben, Christopoulos, Arthur, Sexton, Patrick M., Miller, Laurence J.
Publicado en J Med Chem (2015)

Molecular Basis of Secretin Docking to Its Intact Receptor Using Multiple Photolabile Probes Distributed throughout the Pharmacophore

por Dong, Maoqing, Lam, Polo C.-H., Pinon, Delia I., Hosohata, Keiko, Orry, Andrew, Sexton, Patrick M., Abagyan, Ruben, Miller, Laurence J.
Publicado 2011

Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae

por Han, Qian, Wong, Dawn M., Robinson, Howard, Ding, Haizhen, Lam, Polo C. H., Totrov, Maxim M., Carlier, Paul R., Li, Jianyong
Publicado en Insect Sci (2017)

Functional Importance of a Structurally Distinct Homodimeric Complex of the Family B G Protein-Coupled Secretin Receptor

por Gao, Fan, Harikumar, Kaleeckal G., Dong, Maoqing, Lam, Polo C.-H., Sexton, Patrick M., Christopoulos, Arthur, Bordner, Andrew, Abagyan, Ruben, Miller, Laurence J.
Publicado 2009

Aryl methylcarbamates: potency and selectivity towards wild-type and carbamate-insensitive (G119S) Anopheles gambiae acetylcholinesterase, and toxicity to G3 Strain An. gambiae

por Wong, Dawn M., Li, Jianyong, Lam, Polo C.H., Hartsel, Joshua A., Mutunga, James M., Totrov, Maxim, Bloomquist, Jeffrey R., Carlier, Paul R.
Publicado 2012

Development of a Highly Selective Allosteric Antagonist Radioligand for the Type 1 Cholecystokinin Receptor and Elucidation of Its Molecular Basis of Binding

por Dong, Maoqing, Vattelana, Ashton M., Lam, Polo C.-H., Orry, Andrew J., Abagyan, Ruben, Christopoulos, Arthur, Sexton, Patrick M., Haines, David R., Miller, Laurence J.
Publicado en Mol Pharmacol (2015)

NEUROTOXICOLOGY OF bis(n)-TACRINES ON Blattella germanica AND Drosophila melanogaster ACETYLCHOLINESTERASE

por Mutunga, James M., Boina, DhanaRaj, Anderson, Troy D., Bloomquist, Jeffrey R., Carlier, Paul R., Wong, Dawn M., Lam, Polo C.-H., Totrov, Maxim. M.
Publicado en Arch Insect Biochem Physiol (2013)

Mapping spatial approximations between the amino terminus of secretin and each of the extracellular loops of its receptor using cysteine trapping

por Dong, Maoqing, Xu, Xiequn, Ball, Alicja M., Makhoul, Joshua A., Lam, Polo C.-H., Pinon, Delia I., Orry, Andrew, Sexton, Patrick M., Abagyan, Ruben, Miller, Laurence J.
Publicado 2012

Molecular Basis for Benzodiazepine Agonist Action at the Type 1 Cholecystokinin Receptor

por Harikumar, Kaleeckal G., Cawston, Erin E., Lam, Polo C. H., Patil, Achyut, Orry, Andrew, Henke, Brad R., Abagyan, Ruben, Christopoulos, Arthur, Sexton, Patrick M., Miller, Laurence J.
Publicado 2013

Inhibitor profile of bis(n)-tacrines and N-methylcarbamates on acetylcholinesterase from Rhipicephalus (Boophilus) microplus and Phlebotomus papatasi

por Swale, Daniel R., Tong, Fan, Temeyer, Kevin B., Li, Andrew, Lam, Polo C-H., Totrov, Maxim M., Carlier, Paul R., Pérez de León, Adalberto A., Bloomquist, Jeffrey R.
Publicado 2013

Molecular Basis for Binding and Subtype Selectivity of 1,4-Benzodiazepine Antagonist Ligands of the Cholecystokinin Receptor

por Cawston, Erin E., Lam, Polo C. H., Harikumar, Kaleeckal G., Dong, Maoqing, Ball, Alicja M., Augustine, Mary Lou, Akgün, Eyup, Portoghese, Philip S., Orry, Andrew, Abagyan, Ruben, Sexton, Patrick M., Miller, Laurence J.
Publicado 2012

3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae

por Verma, Astha, Wong, Dawn M., Islam, Rafique, Tong, Fan, Ghavami, Maryam, Mutunga, James M., Slebodnick, Carla, Li, Jianyong, Viayna, Elisabet, Lam, Polo C.-H., Totrov, Maxim M., Bloomquist, Jeffrey R., Carlier, Paul R.
Publicado en Bioorg Med Chem (2015)

Re-engineering aryl methylcarbamates to confer high selectivity for inhibition of Anopheles gambiae vs human acetylcholinesterase

por Hartsel, Joshua A., Wong, Dawn M., Mutunga, James M., Ma, Ming, Anderson, Troy D., Wysinski, Ania, Islam, Rafique, Wong, Eric A., Paulson, Sally L., Li, Jianyong, Lam, Polo C. H., Totrov, Maxim, Bloomquist, Jeffrey R., Carlier, Paul R.
Publicado 2012