Myoferlin (MYOF) is a multidomain protein involved in cellular membrane dynamics and vesicular processes. Its C2D domain has emerged as a region of interest for molecular targeting of MYOF. However, the systematic design and molecular-level characterization of peptide candidates targeting C2D remain limited. Here, we aimed to computationally design short peptide candidates targeting the MYOF-C2D domain and evaluate their interactions with C2D. De novo peptide candidates were generated using RFdiffusion, followed by docking analysis, molecular dynamics simulations, and binding free energy calculations. Among 10,000 designs, 100 candidates were selected for docking, and the 10 candidates identified from the docking results were further evaluated using 100-ns MD simulations. Eight candidates maintained their interactions with C2D throughout the simulation, whereas two failed to form stable complexes. Among the peptide candidates, SIENIAAY exhibited the most favorable calculated MM/PBSA binding free energy and maintained its interaction with C2D throughout the simulation, supported by multiple polar and hydrophobic contacts. However, while SIENIAAY showed a predicted negative The blood–brain barrier (BBB) permeability, the second-ranked peptide, DLVAELYRKLLE, showed a positive BBB permeability prediction. Therefore, C2D-binding potential and predicted BBB accessibility were considered together, and DLVAELYRKLLE was selected as a potential peptide candidate targeting the MYOF-C2D domain.
Quinoline is one of the most widely studied scaffold due to its high biological activities like antimalarial, antitubercular, antitumor, anti-inflammatory, antifungal, antiprotozoal, etc. this compound also has corrosion resistant, fluorescent properties, which make it industrially also important. There are various conventional methods to synthesize this scaffold, but these have several drawbacks like harsh conditions, susceptible functional group get affected. These drawbacks can be overcome by the use of green methods. These methods include Tandem/domino methods, cascade synthesis, cyclization/annulation by C-C, C-N bond formation, use of microwave, ultrasonication, ionic liquids, recyclable nano-catalyst, solid phase synthesis, solvent free synthesis, water as solvent, ball milling, use of cheap, easily available metal catalyst etc. Nowadays various naturally occurring biomass as raw material are also utilized as one of the reactant. These green methods reduce hazards to human as well as environment. This review provides an overview of recent discoveries in green synthetic methods of quinoline scaffold, and various applications of quinoline scaffold in medicine and other industrial applications.
In the present work, a series of amino acid–indole ester conjugates were prepared by incorporating the pharmacologically significant indole scaffold with amino acid moieties. To achieve this, Z- or Boc-protected amino acids were first activated via either the benzotriazole approach or the DCC-mediated coupling procedure and then esterified with 2-hydroxymethylindole to generate the target indole-based amino acid esters. Structural characterization of the synthesized compounds was accomplished using a combination of spectroscopic and analytical methods, including IR, NMR, mass spectrometry, and elemental analysis. Evaluation of the antioxidant properties revealed that the tryptophan-containing derivative (4) and the methionine-containing derivative (2) displayed the most pronounced antioxidant activity relative to the reference compound BHA.
We report a metal-free and temperature-controlled strategy for the tandem deallylation and oxidation of allyl ethers using an iodine/dimethyl sulfoxide (I2/DMSO) system. This methodology enables the one-pot conversion of allyl-protected substrates into the corresponding aldehydes and ketones under mild reaction conditions, with product selectivity governed by temperature. At a moderate temperature (60°C), the reaction selectively affords the deallylated alcohol intermediate, whereas at an elevated temperature (100°C), further oxidation leads to the corresponding carbonyl compounds. Under optimized conditions employing iodine as catalyst and sulfuric acid as additive, the desired products are obtained in good to excellent yields (82–92%).
Dear scientists and readers,As the Organic Communications team, we proudly prepeare each new issue with the same excitement as with our very first issue for the last 19 years.The first issue of 2026 represents both the change of the calendar and a new symbol of maturity and renewed vision of building a culture for the future.Science Unites: A Shared HeritageWhen I look back to 2008-2009 A significant moment stands out in my memory. At the beginning of our journey, among the very first manuscripts submitted to Organic Communications, one was from Palestine and another from Israel.This coincidence demonstrates us the true mission of science: Science is universal; it has no country or homeland. Beyond the political borders, arguments and national concerns science is the most enduring bridge built for shared aspirations of humanity.Scientists, as they have throughout history, continue to act together to carry this great heritage into the future.We owe this to our past.A Numerical Portrait of a 19-Year JourneyIn line with this universal vision, our journal today reaches a global audience, featuring scientific contributions from 50 different countries spanning from Scandinavia to Australia. According to Web of Science data, the interest garnered by the 347 articles we have published to date is a clear indicator of our commitment to quality:Global Impact: From a journey that began with just 4 citations, we have become a point of reference, receiving over 260 citations annually in 2024 and 2025.Academic Trust: Web of Science data (as of 25.01.2026) shows that the vast majority of our 2,169 total citations (specifically 2,018) are not self-citations. A self-citation rate of only 6.7% proves how naturally and objectively our work is accepted worldwide. Articles published in Organic Communications have been cited in highly prestigious journals across various fields—primarily Chemistry, followed by Pharmacology, Pharmacy, Polymer Science, Biochemistry and Molecular Biology, Engineering, Infectious Diseases, Science and Technology, Material Science, Physics, and Environmental Sciences. This low self-citation rate is a refreshing data point in a publishing world often plagued by citation manipulation; it stands as a testament to the mutual trust between our authors, readers, and ourselves. We reaffirm our commitment to these principles and our role as a reliable pillar of the scientific community.Respect for Scientific Effort: We believe that every effort is worth sharing. We have advocated that not only successful outcomes but also honestly reported "negative results" contribute to scientific methodology and prevent other researchers from wasting time and effort. Despite this inclusive approach, we have never compromised on academic rigor. Over the past 19 years, we have maintained a high scientific standard by providing constructive criticism and declining many more studies than we published. Recognizing the Peer Review system as a tool for collective learning and growth, our principled, transparent, and accountable decision-making process remains the greatest sign of our respect for all scientific contributors.2026: A new modelAs we are getting closer to our 19th year, we are excited to share significant developments with our readers:i)New Layout: Our papers now will be more user friendly and professional; it will keep it easier for everyone to read in an efficient way.ii) Continuous Publication Model: To keep pace with the accelerating nature of scientific publishing, we are adopting a continuous publication model. Accepted manuscripts will be rapidly converted into HTML and PDF formats, assigned a DOI, and published online without waiting for the completion of an issue. XML files will also be generated for indexing databases. AcknowledgementsSince the beginning of this road, we have supported Open Access philosophy and with this same approach we will keep distributing the knowledge without institutional barriers.I would like to extend my sincere gratitude to the members of our Editorial Board, to the more than one thousand authors from 50 countries who have contributed to our journal, and to our dedicated reviewers whose rigorous peer-review efforts have ensured the quality of our publications.I wish you all a year driven by science, bringing peace and happiness to all humanity.
