01929nas a2200217   4500008004100000245013800041210006900179260000800248490000600256520112400262100002301386700002101409700002001430700002301450700001901473700002101492700002401513700002001537700002801557856012601585       2016                        eng d00aProtein-dependent membrane interaction of a partially disordered protein complex with oleic acid : Implications for cancer lipidomics0 aProteindependent membrane interaction of a partially disordered   cOCT0 v63 a<p>Bovine α-lactalbumin (BLA) forms cytotoxic complexes with oleic acid (OA) that perturbs tumor cell membranes, but molecular determinants of these membrane-interactions remain poorly understood. Here, we aim to obtain molecular insights into the interaction of BLA/BLA-OA complex with model membranes. We characterized the folding state of BLA-OA complex using tryptophan fluorescence and resolved residue-specific interactions of BLA with OA using molecular dynamics simulation. We integrated membrane-binding data using a voltage-sensitive probe and molecular dynamics (MD) to demonstrate the preferential interaction of the BLA-OA complex with negatively charged membranes. We identified amino acid residues of BLA and BLA-OA complex as determinants of these membrane interactions using MD, functionally corroborated by uptake of the corresponding α-LA peptides across tumor cell membranes. The results suggest that the α-LA component of these cytotoxic complexes confers specificity for tumor cell membranes through protein interactions that are maintained even in the lipid complex, in the presence of OA.</p>1 aChaudhuri, Arunima1 aPrasanna, Xavier1 aAgiru, Priyanka1 aChakraborty, Hirak1 aRydstrom, Anna1 aHo, James, C. S.1 aSvanborg, Catharina1 aSengupta, Durba1 aChattopadhyay, Amitabha  uhttps://library.ncl.res.in/content/protein-dependent-membrane-interaction-partially-disordered-protein-complex-oleic-acid00507nas a2200145   4500008004100000022001400041245006900055210006800124260000800192300001200200490000800212100002300220700002000243856009800263       2022                        eng d  a0022-263100aPreface to special issue on protein-mediated membrane remodeling0 aPreface to special issue on proteinmediated membrane remodeling  cDEC  a633-6350 v2551 aChakraborty, Hirak1 aSengupta, Durba  uhttps://library.ncl.res.in/content/preface-special-issue-protein-mediated-membrane-remodeling02516nas a2200217   4500008004100000022001400041245007100055210006900126260000800195300001400203490000700217520182800224100001702052700002302069700002002092700002102112700001902133700002302152700002002175856010302195       2025                        eng d  a1463-907600aAnomalous membrane organization by omega-6 and omega-9 fatty acids0 aAnomalous membrane organization by omega6 and omega9 fatty acids  cMAR  a6235-62480 v273 a<p>
	Omega fatty acids are currently being marketed as healthy food supplements as they have been implicated in multiple pathophysiological conditions, such as reducing plaque formation of A beta peptide and inhibiting SARS-CoV-2 infection. Their mode of action has been hypothesized to be via membrane reorganization by the unsaturated acyl chains, leading to the modulation of lipid-protein cross-talk. However, the lack of molecular details led us to evaluate the molecular effect of omega-6 (linolenic acid) and omega-9 (oleic acid) fatty acids on membrane organization using a consolidated approach of fluorescence spectroscopy and all-atom molecular dynamics simulation. Our results show that the effect of these omega fatty acids is sensitive to their protonation states. Contrary to the accepted notion that chain unsaturation causes membrane disordering, both experimental and simulation results demonstrate that protonated linoleic acid promotes membrane ordering, despite having two unsaturations at the fatty acyl chain. However, protonated oleic fatty acid, with reduced unsaturation, disordered the acyl chain area of the lipid membranes. Equally surprisingly, deprotonated oleic acid orders, whereas deprotonated linoleic acid disorders, the membrane core region. Interestingly, while the lipid order parameter measurements from simulations did not capture these subtle differences, the calculated rotational autocorrelation function of a membrane dye was in line with experimentally measured apparent rotational correlation times. Our work provides a comprehensive revised molecular picture of the effect of omega fatty acids on membranes and highlights the importance of rigorous comparative approaches, as experimental and simulation studies in isolation can sometimes lead to inconsistent results.</p>
1 aPorte, Sudha1 aPandia, Swaratmika1 aJoardar, Ankita1 aSaraf, Deepashri1 aPinjari, Aadil1 aChakraborty, Hirak1 aSengupta, Durba  uhttps://library.ncl.res.in/content/anomalous-membrane-organization-omega-6-and-omega-9-fatty-acids