2021

• Palladium-mediated Synthesis and Biological Evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as Antileishmanial Agents.

  European Journal of Medicinal Chemistry 220 (2021) 113458, (2021) doi: 10.1016/j.ejmech.2021.113458

• Pulmonary surfactant and drug delivery: Vehiculization, release and targeting of surfactant/tacrolimus formulations

  Journal of Controlled Release 329, 205–222 (2021) doi: 10.1016/j.jconrel.2020.11.042

• Identification of Tse8 as a Type VI secretion system toxin from Pseudomonas aeruginosa that targets the bacterial transamidosome to inhibit protein synthesis in prey cells.

  Nat Microbiol 6, 1199–1210 (2021) doi: 10.1038/s41564-021-00950-8

• Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.

  iScience 24, 102987, (2021) doi: 10.1016/j.isci.2021.102987

• Molecular and mesoscopic geometries in autophagosome generation. A review

  BBA - Biomembranes 1863 (2021) 183731, (2021) doi: 10.1016/j.bbamem.2021.183731

• Virion structure and in vitro genome release mechanism of dicistrovirus Kashmir bee virus

  J Virol 95:e01950-20, (2021) doi: 10.1128/JVI.01950-20

• Super-Resolution Microscopy Using a Bioorthogonal-Based Cholesterol Probe Provides Unprecedented Capabilities for Imaging Nanoscale Lipid Heterogeneity in Living Cells.

  Small Methods, 5, 2100430, (2021) doi: 10.1002/smtd.202100430

• Truncation-Driven Lateral Association of α-Synuclein Hinders Amyloid Clearance by the Hsp70-based Disaggregase.

  Int. J. Mol. Sci. 2021, 22(23), 12983; (2021) doi: 10.3390/ijms222312983

• Molecular mechanisms of lipotoxicity-induced pancreatic β-cell dysfunction

  International Review of Cell and Molecular Biology, Academic Press, Volume 359, 2021, 357-402, (2021) doi: 10.1016/bs.ircmb.2021.02.013

• Phase-selective staining of model and cell membranes, lipid droplets and lipoproteins with fluorescent solvatochromic pyrene probes

  Biochim Biophys Acta Biomembr. 1863(1):183470. (2021) doi: 10.1016/j.bbamem.2020.183470. (2021)

• Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.

  Nat Commun 12, 3661 (2021) doi: 10.1038/s41467-021-23825-2

• Rotational spectroscopic study and astronomical search for propiolamide in Sgr B2(N).

  A&A 647, A55 (2021) doi: 10.1051/0004-6361/202040211

• Nonlinear material and ionic transport through membrane nanotubes

  BBA - Biomembranes 1863 (2021) 183677, (2021) doi: 10.1016/j.bbamem.2021.183677

• Towards Machine Learning Discovery of Dual Antibacterial Drug-Nanoparticle Systems.

  Nanoscale, 2021,13, 17854-17870, (2021) doi: 10.1039/D1NR04178A

• Editorial: New Experimental and Computational Tools for Drug Discovery: Part - XI

  Current Topics in Medicinal Chemistry, 21, 7, 597 - 598, (2021) doi: 10.2174/156802662107210312114854

• Do calmodulin binding IQ motifs have built-in capping domains?

  Protein Science, 30: 2029– 2041, (2021) doi: 10.1002/pro.4170

• In Vitro Cellular Uptake Studies of Self-Assembled Fluorinated Nanoparticles Labelled with Antibodies.

  Nanomaterials 2021, 11(8), 1906; (2021) doi: 10.3390/nano11081906

• Mitochondrial membrane tension governs fission

  Cell Reports 35, 108947, April 13, (2021) doi: 10.1016/j.celrep.2021.108947

• Quantification of biomarker functionality predicts patient outcomes.

  Br J Cancer 124, 1618–1620 (2021) doi: 10.1038/s41416-021-01291-3

• Lyophilized, Thermostable Spike or RBD Immunogenic Liposomes Induce Protective Immunity Against SARS-CoV-2 in Mice.

  Sci. Adv. 7, eabj1476, (2021) doi: 10.1126/sciadv.abj1476

• Bacteriophage PRD1 as a nanoscaffold for drug loading

  Nanoscale, 2021,13, 19875-19883, (2021) doi: 10.1039/D1NR04153C

• (r)HDL in theranostics: how do we apply HDL's biology for precision medicine in atherosclerosis management?

  Biomater. Sci., 2021,9, 3185-3208, (2021) doi: 10.1039/D0BM01838D

• Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models

  Current Topics in Medicinal Chemistry, 21, 9, 819-827, (2021) doi: 10.2174/1568026621666210331161144

• Molecular ruler mechanism and interfacial catalysis of the integral membrane acyltransferase PatA.

  Sci Adv. 2021 Oct 15;7(42):eabj4565. doi: 10.1126/sciadv.abj4565.. PMID: 34652941

• Cholesterol stimulates the lytic activity of Adenylate Cyclase Toxin on lipid membranes by promoting toxin oligomerization and formation of pores with a greater effective size.

  The FASEB Journal, 35:e21657, (2021) doi: 10.1096/fj.202001879RR

• VLP-Based Vaccines as a Suitable Technology to Target Trypanosomatid Diseases.

  Vaccines 2021, 9(3), 220; (2021) doi: 10.3390/vaccines9030220

• Single-aminoacid discrimination in proteins with homogeneous nanopore sensors and neural networks

  Biosensors and Bioelectronics, 180, 2021,113108, (2021) doi: 10.1016/j.bios.2021.113108

• FORTIS: a live-cell assay to monitor AMPA receptors using pH-sensitive fluorescence tags.

  Transl Psychiatry 11, 324 (2021) doi:10.1038/s41398-021-01457-w

• Dimeric Rhodopsin R135L mutant-transducin complex sheds light on misfunctions leading to Retinitis pigmentosa.

  J. Phys. Chem. B 2021, 125, 47, 12958–12971, (2021) doi: 10.1021/acs.jpcb.1c06348

• NMR identification of a conserved Drp1 cardiolipin-binding motif essential for stress- induced mitochondrial fission.

  Proceedings of the National Academy of Sciences Jul 2021, 118 (29) e2023079118, (2021) doi: 10.1073/pnas.2023079118

• Structure of HIV-1 gp41 with its membrane anchors targeted by neutralizing antibodies

  eLife 2021;10:e65005, (2021) doi: 10.7554/eLife.65005

• CHO/LY-B cell growth under limiting sphingolipid supply: Correlation between lipid composition and biophysical properties of sphingolipid-restricted cell membranes.

  The FASEB Journal, 35:e21657 (2021) doi: 10.1096/fj.202001879RR

• Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.

  Int. J. Mol. Sci. 2021, 22(21), 11519; (2021) doi: 10.3390/ijms222111519

• Immunogenomics of Colorectal Cancer Response to Checkpoint Blockade: Analysis of the KEYNOTE 177 Trial and Validation Cohorts

  Gastroenterology 2021;161:1179–1193, (2021) doi: 10.1053/j.gastro.2021.06.064

• Conformational plasticity underlies membrane fusion induced by an HIV sequence juxtaposed to the lipid envelope.

  Sci Rep 11, 1278 (2021) doi: 10.1038/s41598-020-80156-w

• Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

  ACS Chem. Neurosci. 2021, 12, 1, 203–215, (2021) doi: 10.1021/acschemneuro.0c00687

• All-or-none amyloid disassembly via chaperone-triggered fibril unzipping favors clearance of α-synuclein toxic species.

  Proceedings of the National Academy of Sciences Sep 2021, 118 (36) e2105548118, (2021) doi: 10.1073/pnas.2105548118

• MLb-LDLr: A Machine Learning Model for Predicting the Pathogenicity of LDL receptor Missense Variants

  Atherosclerosis 331 (2021) e3, (2021) doi: 10.1016/j.atherosclerosis.2021.06.013

• Minimal metabolism: a key concept to investigate the origins and nature of biological systems.

  BioEssays, 43, e2100103, (2021) doi: 10.1002/bies.202100103

• A Systematic Approach to Assess the Activity and Classification of PCSK9 Variants.

  Int. J. Mol. Sci. 2021, 22(24), 13602; (2021) doi: 10.3390/ijms222413602