Zoekresultaten - "Molecular mechanics"

Computer-Aided Design of Peptidomimetic Inhibitors of Falcipain-3: QSAR and Pharmacophore Models door Boris D. Bekono, Akori E. Esmel, Brice Dali, Fidele Ntie-Kang, Melalie Keita, Luc C. O. Owono, Eugene Megnassan

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Diversity and Evolution of Butterfly Wing Patterns An Integrative Approach /

Inhoudsopgave: “…Color Patterns of Larva and Other Insects -- Chapter15:Molecular Mechanisms of Larval Color Pattern Switch in the Swallowtail Butterfly -- Chapter16:Drosophila guttifera as a model system for elucidating color pattern formation -- Chapter17:Molecular mechanisms underlying color vision and color formation in dragonflies.…”
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Retinoblastoma gene expression profiling based on bioinformatics analysis door Jun Mao, Mingzhi Lu, Siduo Lu, Yiqiao Xing, Xuejiao Xu, Ying Chen, Huirong Xu, Wei Zuo, Jingwen Zhou, Wei Du

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<i>In Vitro</i> and <i>In Silico</i> Approaches for the Antileishmanial Activity Evaluations of Actinomycins Isolated from Novel <i>Streptomyces smyrnaeus</i> Strain UKAQ_23 door Kamal A. Qureshi, Ibrahim Al Nasr, Waleed S. Koko, Tariq A. Khan, M. Qaiser Fatmi, Mahrukh Imtiaz, Riaz A. Khan, Hamdoon A. Mohammed, Mariusz Jaremko, Abdul-Hamid Emwas, Faizul Azam, Avinash D. Bholay, Gamal O. Elhassan, Dinesh K. Prajapati

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Identification of potential therapeutic dual inhibitors of EGFR/HER2 in breast cancer door Megha Jethwa, Aditi Gangopadhyay, Achintya Saha

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Toward the Identification of Natural Antiviral Drug Candidates against Merkel Cell Polyomavirus: Computational Drug Design Approaches door Amer H. Asseri, Md. Jahidul Alam, Faisal Alzahrani, Ahmed Khames, Mohammad Turhan Pathan, Mohammed A. S. Abourehab, Salman Hosawi, Rubaiat Ahmed, Sifat Ara Sultana, Nazia Fairooz Alam, Nafee-Ul Alam, Rahat Alam, Abdus Samad, Sushil Pokhrel, Jin Kyu Kim, Foysal Ahammad, Bonglee Kim, Shing Cheng Tan

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Synthesis and Chemopreventive Potential of 5-FU/Genistein Hybrids on Colorectal Cancer Cells door Gustavo Moreno-Quintero, Wilson Castrillón-Lopez, Angie Herrera-Ramirez, Andrés F. Yepes-Pérez, Jorge Quintero-Saumeth, Wilson Cardona-Galeano

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Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and mo... door Shahkaar Aziz, Muhammad Waqas, Tapan Kumar Mohanta, Sobia Ahsan Halim, Aqib Iqbal, Amjad Ali, Asaad Khalid, Ashraf N. Abdalla, Ajmal Khan, Ahmed Al-Harrasi

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Identifying plant-derived antiviral alkaloids as dual inhibitors of SARS-CoV-2 main protease and spike glycoprotein through computational screening door Ramsha Yamin, Iqra Ahmad, Hira Khalid, Asia Perveen, Sumra Wajid Abbasi, Umar Nishan, Sheheryar Sheheryar, Arlindo Alencar Moura, Sarfraz Ahmed, Riaz Ullah, Essam A. Ali, Mohibullah Shah, Suvash Chandra Ojha

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Multi-target potential of Indian phytochemicals against SARS-CoV-2: A docking, molecular dynamics and MM-GBSA approach extended to Omicron B.1.1.529. door Jency Roshni, R. Vaishali, KS Ganesh, N. Dharani, Khalid J. Alzahrani, Hamsa Jameel Banjer, Ali H. Alghamdi, Abdulrahman Theyab, Shiek SSJ Ahmed, Shankargouda Patil

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Diffusion Mechanism Modeling of Metformin in Human Organic Cationic Amino Acid Transporter one and Functional Impact of S189L, R206C, and G401S Mutation door Leydy Cano, Alejandro Soto-Ospina, Alejandro Soto-Ospina, Pedronel Araque, Pedronel Araque, Maria Antonieta Caro-Gomez, Maria Victoria Parra-Marin, Gabriel Bedoya, Constanza Duque, Constanza Duque

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In silico screening of phytochemicals from Dissotis rotundifolia against Plasmodium falciparum Dihydrofolate Reductase door Latif Adams, Michael Afiadenyo, Samuel Kojo Kwofie, Michael D. Wilson, Kwadow Asamoah Kusi, Dorcas Obiri-Yeboah, Siobhan Moane, Michelle McKeon-Bennett

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Insight into resistance mechanisms of AZD4547 and E3810 to FGFR1 gatekeeper mutation via theoretical study door Liang D, Chen Q, Guo Y, Zhang T, Guo W

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Computational investigation of Y. aloifolia variegate as anti-Human Immunodeficiency Virus (HIV) targeting HIV-1 protease: A multiscale in-silico exploration door Riyan Alifbi Putera Irsal, Gusnia Meilin Gholam, Maheswari Alfira Dwicesaria, Fernanda Chairunisa

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Inhibiting <i>Leishmania donovani</i> Sterol Methyltransferase to Identify Lead Compounds Using Molecular Modelling door Patrick O. Sakyi, Samuel K. Kwofie, Julius K. Tuekpe, Theresa M. Gwira, Emmanuel Broni, Whelton A. Miller, Michael D. Wilson, Richard K. Amewu

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Rational Approach to New Chemical Entities with Antiproliferative Activity on Ab1 Tyrosine Kinase Encoded by the <i>BCR-ABL</i> Gene: An Hierarchical Biochemoinformatics Analysis door Vitor H. da S. Sanches, Cleison C. Lobato, Luciane B. Silva, Igor V. F. dos Santos, Elcimar de S. Barros, Alexandre de A. Maciel, Elenilze F. B. Ferreira, Kauê S. da Costa, José M. Espejo-Román, Joaquín M. C. Rosa, Njogu M. Kimani, Cleydson B. R. Santos

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MOLECULAR DESIGN OF N-ACYL DERIVATIVES OF 2-(2-OXOPYROLIDIN-1-YL)-ACETAMIDE WITH GABA-ERGIC AND GLUTAMATERGIC ACTIVITIES door I. P. Kodonidi, A. S. Chiriapkin, D. E. Tworowski

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Etiology and Morphogenesis of Congenital Heart Disease From Gene Function and Cellular Interaction to Morphology /

Inhoudsopgave: “…Valve Development and Diseases -- Atrioventricular valve abnormalities: From molecular mechanisms underlying morphogenesis to clinical perspective -- Molecular Mechanisms of Heart Valve Development and Disease -- A novel role for endocardium in perinatal valve development: Lessons learned from tissue specific gene deletion of the Tie1 receptor tyrosine kinase -- The Role of the Epicardium in the Formation of the Cardiac Valves in the Mouse -- TMEM100, a novel intracellular transmembrane protein essential for vascular development and cardiac morphogenesis -- Cell autonomous regulation of BMP-2 in endocardial cushion cells during AV valvuloseptal morphogenesis -- Part V. …”
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All-Optical Methods to Study Neuronal Function

Inhoudsopgave: “…Optical Manipulation and Recording of Neural Activity with Wavefront Engineering -- Balancing the Fluorescence Imaging Budget for All-Optical Neurophysiology Experiments -- Light-Based Neuronal Circuit Probing in Living Brains at High-Resolution: Constraints and Layouts for Integrating Neuronal Activity Recording and Modulation in Three Dimensions -- High Speed All-Optical Neural Interfaces with 3D Temporally Focused Holography -- An All-Optical Physiology Pipeline towards Highly Specific and Artefact-Free Circuit Mapping -- Spatial and Temporal Considerations of Optogenetic Tools in an All-Optical Single-Beam Experiment -- Miniature Multiphoton Microscopes for Recording Neural Activity in Freely Moving Animals -- Optogenetics and Light Sheet Microscopy -- Widefield Multiphoton Imaging at Depth with Temporal Focusing -- High-Speed Neural Imaging with Synaptic Resolution: Bessel Focus Scanning Two-Photon Microscopy and Optical-Sectioning Widefield Microscopy -- Optical and Analytical Methods to Visualize and Manipulate Contrical Ensembles and Behavior -- Illuminating Neural Computation using Precision Optogenetics-Controlled Synthetic Perception -- Spectrally-Focused Stimulated Raman Scattering (sf-SRS) Microscopy for Label-Free Investigations of Molecular Mechanisms in Living Organisms.…”
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Sexual Reproduction in Animals and Plants

Inhoudsopgave: “…Chandler) -- 5 Structure, Function and Phylogenetic Consideration of Calaxin (Kazuo Inaba) -- 6 Cl- Channels and Transporters in Sperm Physiology (Alberto Darszon) -- 7 Equatorin-related Subcellular and Molecular Events During Sperm Priming for Fertilization in Mice (Kiyotaka Toshimori) -- 8 Acrosome Reaction-mediated Motility Initiation that is Critical for the Internal Fertilization of Urodele Amphibians (Akihiko Watanabe) -- 9 Analysis of the Mechanism that Brings Protein Disulfide Isomerase-P5 to Inhibit Oxidative Refolding of Lysozyme (Miho Miyakawa) -- Part 2 Gametogenesis, Gamete Recognition, Activation, and Evolution -- 10 Effect of Relaxin-like Gonad-Stimulating Substance (GSS) on Gamete Shedding and 1-Methyladenine Production in Starfish Ovaries (Masatoshi Mita) -- 11 Incapacity of 1-Methyladenine Production to Relaxin-like Gonad-Stimulating Substance (GSS) in Ca2+-free Seawater-treated Starfish Ovarian Follicle Cells (Masatoshi Mita) -- 12 Novel Isoform of Vitellogenin Expressed in Eggs is a Binding Partner of the Sperm Proteases, HrProacrosin and HrSermosin, in the Ascidian Halocynthia roretzi (Hitoshi Sawada) -- 13 Actin Cytoskeleton and Fertilization in Starfish Eggs (Luigia Santella) -- 14 Focused Proteomics on Egg Membrane Microdomains to Elucidate the Cellular and Molecular Mechanisms of Fertilization in the African Clawed Frog Xenopus laevis (Ken-ichi Sato) -- 15 Egg Activation in Polyspermy: Its Molecular Mechanisms and Evolution in Vertebrates (Yasuhiro Iwao ) -- 16 ATP Imaging in Xenopus laevis Oocyte (Takashi Ijiri) -- 17 Mitochondrial Activation and Nitric Oxide (NO) Release at Fertilization in Echinoderm Eggs (Tatsuma Mohri) -- 18 Functional Roles of Spe Genes in the Male Germline During Reproduction of Caenorhabditis elegans (Hitoshi Nishimura) -- 19 Origin of Female/Male Gender as Deduced by the Mating Type Loci of the Colonial Volvocalean Greens (Hisayoshi Nozaki) -- Part 3 Allorecognition in Male-Female Interaction -- 20 Allorecognition and Lysin Systems During Ascidian Fertilization (Hitoshi Sawada) -- 21 Self-incompatibility in the Brassicaceae (Megumi Iwano) -- 22 Signalling Events in Pollen Acceptance or Rejection in the Arabidopsis Species (Daphne R. …”
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