Philip D. Mosier, Ph.D. - Related publications

Affiliations: 
Pennsylvania State University, State College, PA, United States 
Area:
Computational Chemistry
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Manoliu LCE, Martin EC, Milac AL, Spiridon L. Effective Use of Empirical Data for Virtual Screening against APJR GPCR Receptor. Molecules (Basel, Switzerland). 26. PMID 34443478 DOI: 10.3390/molecules26164894   
2021 Cong X, Maurel D, Déméné H, Vasiliauskaité-Brooks I, Hagelberger J, Peysson F, Saint-Paul J, Golebiowski J, Granier S, Sounier R. Molecular insights into the biased signaling mechanism of the μ-opioid receptor. Molecular Cell. PMID 34433090 DOI: 10.1016/j.molcel.2021.07.033   
2021 Boritzki V, Hübner H, Allikalt A, Gmeiner P, Wöhrl BM. Optimizing the Expression of Human Dopamine Receptors in . International Journal of Molecular Sciences. 22. PMID 34445358 DOI: 10.3390/ijms22168647   
2021 Haider S, Pandey P, Reddy CR, Lambert JA, Chittiboyina AG. Novel Machaeriol Analogues as Modulators of Cannabinoid Receptors: Structure-Activity Relationships of (+)-Hexahydrocannabinoids and Their Isoform Selectivities. Acs Omega. 6: 20408-20421. PMID 34395989 DOI: 10.1021/acsomega.1c02413   
2021 Schaber EN, Ivanova N, Iliev S, Petrova J, Gocheva G, Madjarova G, Ivanova A. Initial Stages of Spontaneous Binding of Folate-Based Vectors to Folate Receptor-α Observed by Unbiased Molecular Dynamics. The Journal of Physical Chemistry. B. 125: 7598-7612. PMID 34247488 DOI: 10.1021/acs.jpcb.1c00488   
2021 Schaber EN, Ivanova N, Iliev S, Petrova J, Gocheva G, Madjarova G, Ivanova A. Initial Stages of Spontaneous Binding of Folate-Based Vectors to Folate Receptor-α Observed by Unbiased Molecular Dynamics. The Journal of Physical Chemistry. B. 125: 7598-7612. PMID 34247488 DOI: 10.1021/acs.jpcb.1c00488   
2021 Jha P, Chaturvedi S, Bhat R, Jain N, Mishra AK. Insights of ligand binding in modeled h5-HT receptor: homology modeling, docking, MM-GBSA, screening and molecular dynamics. Journal of Biomolecular Structure & Dynamics. 1-13. PMID 34387135 DOI: 10.1080/07391102.2021.1961865   
2021 Deganutti G, Atanasio S, Rujan RM, Sexton PM, Wootten D, Reynolds CA. Exploring Ligand Binding to Calcitonin Gene-Related Peptide Receptors. Frontiers in Molecular Biosciences. 8: 720561. PMID 34513925 DOI: 10.3389/fmolb.2021.720561   
2021 Lee Y, Hou X, Lee JH, Nayak A, Alexander V, Sharma PK, Chang H, Phan K, Gao ZG, Jacobson KA, Choi S, Jeong LS. Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A Adenosine Receptor Homology Models and Structural Network Analysis Can Predict This Boundary. Journal of Medicinal Chemistry. PMID 34435786 DOI: 10.1021/acs.jmedchem.1c00239   
2021 Okimoto R, Ino K, Ishizu K, Takamatsu H, Sakamoto K, Yuyama H, Fuji H, Someya A, Ohtake A, Ishigami T, Masuda N, Takeda M, Kajioka S, Yoshimura N. . The Journal of Pharmacology and Experimental Therapeutics. PMID 34244231 DOI: 10.1124/jpet.121.000709   
2021 Lu S, He X, Yang Z, Chai Z, Zhou S, Wang J, Rehman AU, Ni D, Pu J, Sun J, Zhang J. Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design. Nature Communications. 12: 4721. PMID 34354057 DOI: 10.1038/s41467-021-25020-9   
2021 Wu N, Olechwier AM, Brunner C, Edwards PC, Tsai CJ, Tate CG, Schertler GFX, Schneider G, Deupi X, Zenobi R, Ma P. High-mass MALDI-MS unravels ligand-mediated G protein-coupling selectivity to GPCRs. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34326250 DOI: 10.1073/pnas.2024146118   
2021 Yang MY, Kim SK, Kim D, Liggett SB, Goddard WA. Structures and Agonist Binding Sites of Bitter Taste Receptor TAS2R5 Complexed with Gi Protein and Validated against Experiment. The Journal of Physical Chemistry Letters. 9293-9300. PMID 34542294 DOI: 10.1021/acs.jpclett.1c02162   
2021 Siclari JJ, Gardner KH. Two steps, one ligand: How PPARγ binds small-molecule agonists. Structure (London, England : 1993). 29: 935-936. PMID 34478635 DOI: 10.1016/j.str.2021.08.005   
2021 Meng Q, Fu Y, Li S, Yan Y, Duan D, Anthony DD, Zhu Y, Wu X, Qian F, Wu C. Rapid, sensitive and cost-effective determination of immune checkpoint inhibitor activity using a magnetic bead-based binding assay. Journal of Immunological Methods. 113134. PMID 34464606 DOI: 10.1016/j.jim.2021.113134   
2021 Budzinski J, Maschauer S, Kobayashi H, Couvineau P, Vogt H, Gmeiner P, Roggenhofer A, Prante O, Bouvier M, Weikert D. Bivalent ligands promote endosomal trafficking of the dopamine D3 receptor-neurotensin receptor 1 heterodimer. Communications Biology. 4: 1062. PMID 34508168 DOI: 10.1038/s42003-021-02574-4   
2021 Basit A, Karim AM, Asif M, Ali T, Lee JH, Jeon JH, Rehman SU, Lee SH. Designing Short Peptides to Block the Interaction of SARS-CoV-2 and Human ACE2 for COVID-19 Therapeutics. Frontiers in Pharmacology. 12: 731828. PMID 34512357 DOI: 10.3389/fphar.2021.731828   
2021 Papke RL, Horenstein NA. Therapeutic Targeting of 7 Nicotinic Acetylcholine Receptors. Pharmacological Reviews. 73: 1118-1149. PMID 34301823 DOI: 10.1124/pharmrev.120.000097   
2021 Ren X, Gelinas AD, Linehan M, Iwasaki A, Wang W, Janjic N, Marie Pyle A. Title: Evolving a RIG-I antagonist: a modified DNA aptamer mimics viral RNA. Journal of Molecular Biology. 167227. PMID 34487794 DOI: 10.1016/j.jmb.2021.167227   
2021 Free RB, Cuoco CA, Xie B, Namkung Y, Prabhu VV, Willette BKA, Day MM, Sanchez-Soto M, Lane JR, Laporte SA, Shi L, Allen JE, Sibley DR. Pharmacological characterization of the imipridone anti-cancer drug ONC201 reveals a negative allosteric mechanism of action at the D dopamine receptor. Molecular Pharmacology. PMID 34353882 DOI: 10.1124/molpharm.121.000336   
2021 Mishra PM, Nandi CK. Structural Decoding of a Small Molecular Inhibitor on the Binding of SARS-CoV-2 to the ACE 2 Receptor. The Journal of Physical Chemistry. B. PMID 34297554 DOI: 10.1021/acs.jpcb.1c03294   
2021 Eguchi A, Ueki A, Hoshiyama J, Kuwata K, Chikaoka Y, Kawamura T, Nagatoishi S, Tsumoto K, Ueki R, Sando S. A DNA Aptamer That Inhibits the Aberrant Signaling of Fibroblast Growth Factor Receptor in Cancer Cells. Jacs Au. 1: 578-585. PMID 34467321 DOI: 10.1021/jacsau.0c00121   
2021 Castillo G, Kleene R, Schachner M, Loers G, Torda AE. Proteins Binding to the Carbohydrate HNK-1: Common Origins? International Journal of Molecular Sciences. 22. PMID 34360882 DOI: 10.3390/ijms22158116   
2021 Draper-Joyce CJ, Bhola R, Wang J, Bhattarai A, Nguyen ATN, Cowie-Kent I, O'Sullivan K, Chia LY, Venugopal H, Valant C, Thal DM, Wootten D, Panel N, Carlsson J, Christie MJ, et al. Positive allosteric mechanisms of adenosine A receptor-mediated analgesia. Nature. PMID 34497422 DOI: 10.1038/s41586-021-03897-2   
2021 Dvorácskó S, Lázár L, Fülöp F, Palkó M, Zalán Z, Penke B, Fülöp L, Tömböly C, Bogár F. Novel High Affinity Sigma-1 Receptor Ligands from Minimal Ensemble Docking-Based Virtual Screening. International Journal of Molecular Sciences. 22. PMID 34360878 DOI: 10.3390/ijms22158112   
2021 Giubilaro J, Schuetz DA, Stepniewski TM, Namkung Y, Khoury E, Lara-Márquez M, Campbell S, Beautrait A, Armando S, Radresa O, Duchaine J, Lamarche-Vane N, Claing A, Selent J, Bouvier M, et al. Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen. Nature Communications. 12: 4688. PMID 34344896 DOI: 10.1038/s41467-021-24968-y   
2021 Zhang H, Chen LN, Yang D, Mao C, Shen Q, Feng W, Shen DD, Dai A, Xie S, Zhou Y, Qin J, Sun JP, Scharf DH, Hou T, Zhou T, et al. Structural insights into ligand recognition and activation of the melanocortin-4 receptor. Cell Research. PMID 34433901 DOI: 10.1038/s41422-021-00552-3   
2021 Rosier N, Grätz L, Schihada H, Möller J, Işbilir A, Humphrys LJ, Nagl M, Seibel U, Lohse MJ, Pockes S. A Versatile Sub-Nanomolar Fluorescent Ligand Enables NanoBRET Binding Studies and Single-Molecule Microscopy at the Histamine H Receptor. Journal of Medicinal Chemistry. PMID 34309390 DOI: 10.1021/acs.jmedchem.1c01089   
2021 Elsebai MF, Schoeder CT, Müller CE. Fintiamin: A diketopiperazine from the marine sponge-derived fungus Eurotium sp. Archiv Der Pharmazie. e2100206. PMID 34368995 DOI: 10.1002/ardp.202100206   
2021 Gonzalez CU, Carrillo E, Berka V, Jayaraman V. Structural Arrangement Produced by Concanavalin A Binding to Homomeric GluK2 Receptors. Membranes. 11. PMID 34436376 DOI: 10.3390/membranes11080613   
2021 Nobrega JN, Raymond R, Rajji TK, Pollock BG. A calcium fluorescence assay for quantification of cholinergic receptor activity of clinical drugs in serum - comparison with radioactive methods. Journal of Pharmacological and Toxicological Methods. 107118. PMID 34481920 DOI: 10.1016/j.vascn.2021.107118   
2021 Vaidya AS, Peterson FC, Eckhardt J, Xing Z, Park SY, Dejonghe W, Takeuchi J, Pri-Tal O, Faria J, Elzinga D, Volkman BF, Todoroki Y, Mosquna A, Okamoto M, Cutler SR. Click-to-lead design of a picomolar ABA receptor antagonist with potent activity in vivo. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34531324 DOI: 10.1073/pnas.2108281118   
2021 Binder P, Schnellbächer ND, Höfer T, Becker NB, Schwarz US. Optimal ligand discrimination by asymmetric dimerization and turnover of interferon receptors. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34507994 DOI: 10.1073/pnas.2103939118   
2021 Zhao X, Fu X, Yuan X, Shayiranbieke A, Xu R, Cao F, Ren J, Liang Q, Zhao X. Development and characterization of a selective chromatographic approach to the rapid discovery of ligands binding to muscarinic-3 acetylcholine receptor. Journal of Chromatography. A. 1653: 462443. PMID 34365202 DOI: 10.1016/j.chroma.2021.462443   
2021 Wang X, Sandberg ML, Martin AD, Negri KR, Gabrelow GB, Nampe DP, Wu ML, McElvain ME, Toledo Warshaviak D, Lee WH, Oh J, Daris ME, Chai F, Yao C, Furney J, et al. Potent, Selective CARs as Potential T-Cell Therapeutics for HPV-positive Cancers. Journal of Immunotherapy (Hagerstown, Md. : 1997). PMID 34432728 DOI: 10.1097/CJI.0000000000000386   
2021 Bednarska-Szczepaniak K, Mieczkowski A, Kierozalska A, Pavlović Saftić D, Głąbała K, Przygodzki T, Stańczyk L, Karolczak K, Watała C, Rao H, Gao ZG, Jacobson KA, Leśnikowski ZJ. Synthesis and evaluation of adenosine derivatives as A, A, A and A adenosine receptor ligands containing boron clusters as phenyl isosteres and selective A agonists. European Journal of Medicinal Chemistry. 223: 113607. PMID 34171656 DOI: 10.1016/j.ejmech.2021.113607   
2021 Stepniewski TM, Mancini A, Ågren R, Torrens-Fontanals M, Semache M, Bouvier M, Sahlholm K, Breton B, Selent J. Mechanistic insights into dopaminergic and serotonergic neurotransmission - concerted interactions with helices 5 and 6 drive the functional outcome. Chemical Science. 12: 10990-11003. PMID 34522296 DOI: 10.1039/d1sc00749a   
2021 Palaka BK, Vijayakumar S, Choudhury SR. Exploring nod factor receptors activation process in chickpea by bridging modelling, docking and molecular dynamics simulations. International Journal of Biological Macromolecules. PMID 34450153 DOI: 10.1016/j.ijbiomac.2021.08.152   
2021 Turu G, Soltész-Katona E, Tóth AD, Juhász C, Cserző M, Misák Á, Balla A, Caron MG, Hunyady L. Biased Coupling to β-Arrestin of Two Common Variants of the CB Cannabinoid Receptor. Frontiers in Endocrinology. 12: 714561. PMID 34484125 DOI: 10.3389/fendo.2021.714561   
2021 Sahoo CR, Paidesetty SK, Sarathbabu S, Dehury B, Senthil Kumar N, Padhy RN. Molecular dynamics simulation, synthesis and topoisomerase inhibitory actions of vanillin derivatives: a systematic computational structural integument. Journal of Biomolecular Structure & Dynamics. 1-11. PMID 34355674 DOI: 10.1080/07391102.2021.1961867   
2021 Gim HJ, Park J, Jung ME, Houk KN. Conformational dynamics of androgen receptors bound to agonists and antagonists. Scientific Reports. 11: 15887. PMID 34354111 DOI: 10.1038/s41598-021-94707-2   
2021 Fernandez RA, Quimque MT, Notarte KI, Manzano JA, Pilapil DY, de Leon VN, San Jose JJ, Villalobos O, Muralidharan NH, Gromiha MM, Brogi S, Macabeo APG. Myxobacterial depsipeptide chondramides interrupt SARS-CoV-2 entry by targeting its broad, cell tropic spike protein. Journal of Biomolecular Structure & Dynamics. 1-12. PMID 34463219 DOI: 10.1080/07391102.2021.1969281   
2021 Iwamoto M, Masuya T, Hosose M, Tagawa K, Ishibashi T, Yoshihara E, Downes M, Evans RM, Matsushima A. Bisphenol A derivatives act as novel coactivator binding inhibitors for estrogen receptor β. The Journal of Biological Chemistry. 101173. PMID 34499926 DOI: 10.1016/j.jbc.2021.101173   
2021 Burger WAC, Gentry PR, Berizzi AE, Vuckovic Z, van der Westhuizen ET, Thompson G, Yeasmin M, Lindsley CW, Sexton PM, Langmead CJ, Tobin AB, Christopoulos A, Valant C, Thal DM. Identification of a Novel Allosteric Site at the M Muscarinic Acetylcholine Receptor. Acs Chemical Neuroscience. PMID 34351123 DOI: 10.1021/acschemneuro.1c00383   
2021 Kumar R, Grinberg AV, Li H, Kuo TH, Sako D, Krishnan L, Liharska K, Li J, Grenha R, Maguire MC, Briscoe SD, Pearsall RS, Herrin BR, Suragani RNVS, Castonguay R. Functionally diverse heteromeric traps for ligands of the transforming growth factor-β superfamily. Scientific Reports. 11: 18341. PMID 34526551 DOI: 10.1038/s41598-021-97203-9   
2021 Ben David A, Barnea A, Diamant E, Dor E, Schwartz A, Torgeman A, Zichel R. Small Molecule Receptor Binding Inhibitors with In Vivo Efficacy against Botulinum Neurotoxin Serotypes A and E. International Journal of Molecular Sciences. 22. PMID 34445283 DOI: 10.3390/ijms22168577   
2021 van Aalst E, Wylie BJ. Cholesterol Is a Dose-Dependent Positive Allosteric Modulator of CCR3 Ligand Affinity and G Protein Coupling. Frontiers in Molecular Biosciences. 8: 724603. PMID 34490352 DOI: 10.3389/fmolb.2021.724603   
2021 Dilger AC, Johnson BJ, Brent P, Ellis RL. Comparison of beta-ligands used in cattle production: structures, safety, and biological effects. Journal of Animal Science. 99. PMID 34337648 DOI: 10.1093/jas/skab094   
2021 He Q, Wei Y, Liu X, Ye R, Kong L, Li Z, Jiang S, Yu L, Chai J, Xie Q, Fu W, Wang Y, Li W, Qiu Z, Liu J, et al. Discovery of an -Substituted -Cyclopropylmethyl-7α-phenyl-6,14-endoethanotetrahydronorthebaine as a Selective, Potent, and Orally Active κ-Opioid Receptor Agonist with an Improved Central Nervous System Safety Profile. Journal of Medicinal Chemistry. PMID 34387468 DOI: 10.1021/acs.jmedchem.1c01082   
2021 Dutt Konar A, Jain AK, Gupta A, Karthikeyan C, Trivedi P. Unravelling the selectivity of 6,7 dimethyl Quinoxaline analogues for kinase inhibition: An Insight towards the development of Alzheimer's therapeutics. Chemistry & Biodiversity. PMID 34486216 DOI: 10.1002/cbdv.202100364