Results 151 to 160 of about 105,531 (276)

A systematic review: Molecular docking simulation of small molecules as anticancer non-small cell lung carcinoma drug candidates. [PDF]

J Adv Pharm Technol Res, 2022
Hidayat S, Ibrahim FM, Suhandi C, Muchtaridi M.   +3 more
europepmc   +1 more source

ZBTB21 Is a Dual Suppressor of Pyroptosis and MHC‐I Antigen Presentation That Promotes Tumor Immune Evasion

Advanced Science, EarlyView.
ZBTB21 is a transcription factor that epigenetically suppresses pyroptosis and MHC‐I antigen presentation, enabling tumor immune evasion. Genetic ablation of ZBTB21 activates pyroptotic cell death and enhances antigen presentation, recruiting CD8+ T cells to overcome immune checkpoint blockade resistance.
Lei Zhao, Linlin Sheng, Jianhao Qiu, Junjie Ma, Kai Jin, Binggong Zhao, Tianrun Miao, Jing Chen, Yehong Li, Zhan Zhang, Dongfeng Sun, Yongmeng Li, Hui Tian   +12 more
wiley   +1 more source

Cytotoxic Potential of Alternaria tenuissima AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation. [PDF]

Curr Issues Mol Biol, 2022
Al Mousa AA, Abouelela ME, Abouelela ME, Hassane AMA, Al-Khattaf FS, Hatamleh AA, Alabdulhadi HS, Dahmash ND, Abo-Dahab NF.   +8 more
europepmc   +1 more source

Xanthatin Targets CISD1 to Drive Ferroptosis and Mitophagy as a Dual Anticancer Strategy in Triple‐Negative Breast Cancer

Advanced Science, EarlyView.
Triple‐negative breast cancer has a poor prognosis. Xanthatin directly targets and degrades CISD1, triggering ferroptosis through iron dysregulation. The concurrently activated mitophagy synergistically amplifies ferroptotic cell death. Xanthatin also demonstrates potent in vivo anti‐tumor efficacy with minimal toxicity, highlighting its therapeutic ...
Qinwen Liu, Haojie Chen, Xiang Li, Jingxin Liu, Yiwen Li, Zhenyi Shi, Shenshen Guo, Qingfeng Du, Aiping Lu, Daogang Guan   +9 more
wiley   +1 more source

Integrative Ligand-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Simulation Approaches Identified Potential Lead Compounds against Pancreatic Cancer by Targeting FAK1. [PDF]

Pharmaceuticals (Basel), 2023
Molla MHR, Aljahdali MO, Sumon MAA, Asseri AH, Altayb HN, Islam MS, Alsaiari AA, Opo FADM, Jahan N, Ahammad F, Mohammad F.   +10 more
europepmc   +1 more source

NIPAL1 Drives a Metabolic‐Epigenetic Feedback Loop to Promote Lactate‐Mediated Immune Evasion in Esophageal Cancer

Advanced Science, EarlyView.
The study identifies a NIPAL1‐driven metabolic‐epigenetic circuit in esophageal squamous cell carcinoma that promotes glycolysis, lactate accumulation, and H3K18 histone lactylation, forming a self‐sustaining loop that suppresses CD8+ T cell immunity.
Ri‐Xin Chen, Xiao‐Dan Ma, Shui‐Dan Xu, Ao‐Tian Mo, Min‐Hua Deng, Jun‐Han Wu, Wei‐Tao Zhuang, Jin‐Ling Duan, Shu‐Huan Xie, Jin‐Long Lin, Peng Lin, Ji‐Ming Tang, Hai‐Yu Zhou, Xiao‐Song Ben, Gui‐Bin Qiao, Dan Xie   +15 more
wiley   +1 more source

In Silico Screening of Natural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation. [PDF]

Chin J Integr Med, 2022
Hossain R, Sarkar C, Hassan SMH, Khan RA, Arman M, Ray P, Islam MT, Daştan SD, Sharifi-Rad J, Almarhoon ZM, Martorell M, Setzer WN, Calina D.   +12 more
europepmc   +1 more source

Systematically Engineering for Efficient Production of 3‐Methyl‐1‐Butanol in Escherichia coli

Advanced Science, EarlyView.
An integrated metabolic engineering strategy was established for high‐level 3‐methyl‐1‐butanol biosynthesis in Escherichia coli. Molecular dynamics‐guided semi‐rational engineering of dihydroxyacid dehydratase uncovered and relieved key catalytic bottlenecks, while adaptive laboratory evolution enhanced strain robustness.
Nanfei Geng, Hao Liu, Haolin Han, Meng Meng, Shaojie Wang, Tianwei Tan, Haijia Su   +6 more
wiley   +1 more source

Molecular Docking Simulation Studies Identifies Potential Natural Product Derived-Antiwolbachial Compounds as Filaricides against Onchocerciasis. [PDF]

Biomedicines, 2021
Kwofie SK, Broni E, Yunus FU, Nsoh J, Adoboe D, Miller WA, Wilson MD.   +6 more
europepmc   +1 more source

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015. [PDF]

, 2016
Abel, R, Achenbach, J, Adikwu, UM, Ain, QU, Al-Yamori, R, Alhalabi, Z, Aniceto, N, Ansideri, F, Baker, D, Balducci, A, Banting, L, Barilla, J, Barrett, I, Basu, D, Baumann, K, Bender, A, Bender, A, Bender, A, Berg, E, Bergström, F, Bermudez, M, Bietz, S, Bietz, S, Bodnarchuk, MS, Boeckler, FM, Boeckler, FM, Bojarski, AJ, Bojarski, AJ, Borbulevych, OY, Buchholz, M, Bulusu, KC, Bureau, R, Böckler, FM, Böttcher, S, Büttner, FM, Cao, Q, Cappel, D, Cheeseright, T, Clark, RD, Clark, T, Da Costa, FB, Dahlgren, M, De Graaf, C, Demuth, H-U, Dorfman, R, Dubrucq, K, Ecker, GF, Edman, K, Egelkraut-Holtus, M, Eid, S, Eigner-Pitto, V, Engel, J, Engkvist, O, Epple, M, Essex, JW, Evers, A, Exner, TE, Fan, T-P, Fechner, U, Finkelmann, AR, Firaha, DS, Firth, M, Fourches, D, Fraaije, JH, Frach, R, Frach, R, Fraczkiewicz, R, Freitas, A, Friedrich, N-O, Friesner, R, Fu, X, Fuchs, JE, Fulle, S, Furtado, F, Garg, P, Gervasio, FL, Ghafourian, T, Glen, R, Gracia, RS, Grebner, C, Guallar, V, Göller, AH, Günther, MB, Günther, S, Güssregen, S, Haensele, E, Heidrich, J, Heil, J, Hennig, S, Herrmann, G, Hessler, G, Hilbig, M, Himmler, H-J, Hoffgaard, F, Hogner, A, Hollóczki, O, Horinek, D, Hošek, P, Husch, T, Ibezim, A, Ihlenfeldt, WD, Ihlenfeldt, WD, Jardin, C, Judson, P, Jäger, C, Kalinowski, L, Kalliokoski, T, Kast, SM, Kast, SM, Kast, SM, Kibies, P, Kibies, P, Kirchmair, J, Kirchner, B, Kireeva, N, Klute, W, Koch, O, Koch, P, Kohlbacher, O, Kolb, P, Korth, M, Kos, A, Kramer, C, Krilov, G, Krotzky, T, Krotzky, T, Kuhn, H, Kuhn, MA, Kurczab, R, Kühne, R, Lange, A, Lange, A, Lanig, H, Laufer, S, Levine, Z, Li, X, Lifongo, LL, Lin, T, Lisurek, M, Lokajíček, MV, Mackey, M, Masek, BB, Mathea, M, Matter, H, Mbah, CJ, Mbaze, LM, McWilliams, L, Mervin, L, Mervin, LH, Mittal, S, Mohamad-Zobir, SZ, Montanari, F, Moser, D, Mrugalla, F, Mullen, R, Murray, DC, Nagy, S, Nahum, O, Naß, A, Nguyen, QD, Nogueira, MS, Ntie-Kang, F, Ntie-Kang, F, Ntie-Kang, F, Nwodo, NJ, Oliveira Santos, JS-D, Oliveira, TB, Omoto, K, Onlia, I, Ostroumov, D, Owen, RM, Panecka, J, Patel, H, Pervov, VS, Petrov, A, Pisaková, H, Pleik, S, Polokoff, M, Pongratz, T, Pretzel, J, Proschak, E, Pryde, DC, Pöhner, IA, Rarey, M, Rarey, M, Rarey, M, Rauh, D, Renner, G, Renner, G, Richmond, NJ, Rickmeyer, T, Rippmann, F, Ross, GA, Ruff, M, Rupp, B, Saladino, G, Saleh, N, Sandmann, A, Sandmann, A, Schall, C, Schmidt, D, Schmidt, TC, Schmidt, TJ, Schmidtke, P, Schneider, G, Schomburg, KT, Schram, J, Schulz, R, Schütter, C, Segler, MHS, Senderowitz, H, Shaikh, N, Shea, J-E, Sherman, W, Sievers-Engler, A, Simoben, CV, Simr, P, Sippl, W, Smith, S, Solovev, VP, Soltanshahi, F, Sommer, K, Sotriffer, CA, Spiwok, V, Stehle, T, Steinbrecher, TB, Steudle, A, Sticht, H, Strohfeldt, S, Sánchez-García, E, Tautermann, CS, Torda, AE, Torella, R, Truszkowski, A, Turk, S, Tyrchan, C, Tyrchan, C, Ulander, J, Ulander, J, Van den Broek, K, Van den Broek, K, Van Oeyen, A, Volkamer, A, Wade, RC, Waldman, M, Waller, MP, Wang, L, Warszycki, D, Weber, J, Wessjohann, L, Westerhoff, LM, Whitley, DC, Wieczorek, V, Wolber, G, Yosipof, A, Zdrazil, B, Zielesny, A, Zimmermann, MO, Zoufir, A, Śmieja, M   +259 more
core   +1 more source