Results 231 to 240 of about 1,213,798 (272)

Hijacking emergency granulopoiesis: Neutrophil ontogeny and reprogramming in cancer

Molecular Oncology, EarlyView.
Neutrophils are highly plastic innate immune cells; their functions in cancer extend beyond the tumour microenvironment. This Review summarises current understanding of neutrophil maturation and heterogeneity and highlights tumour‐induced granulopoiesis as a systemic programme that expands immature, immunosuppressive neutrophils via tumour‐derived ...
Gabriela Marinescu, Yi Feng
wiley   +1 more source

Mechanistic insights into PFAS derivatives-induced coronary heart disease and atherosclerotic renal artery stenosis via integrated network toxicology and molecular modeling. [PDF]

Toxicol Res (Camb)
Chai J, Wang Y, Zhang C, Wang Y, Xue A, Jie W.   +5 more
europepmc   +1 more source

Rethinking plastic waste: innovations in enzymatic breakdown of oil‐based polyesters and bioplastics

FEBS Open Bio, EarlyView.
Plastic pollution remains a critical environmental challenge, and current mechanical and chemical recycling methods are insufficient to achieve a fully circular economy. This review highlights recent breakthroughs in the enzymatic depolymerization of both oil‐derived polyesters and bioplastics, including high‐throughput protein engineering, de novo ...
Elena Rosini, Nicolò Antonelli, Gianluca Molla   +2 more
wiley   +1 more source

Rational design of phenyl 2,4,5-trichlorobenzenesulfonate based thiosemicarbazones as α-glucosidase and α-amylase inhibitors: integrating enzymatic evaluation and molecular modeling. [PDF]

RSC Adv
Noreen F, Zaki MEA, Sadeghian N, Tokali FS, Taslimi P, Alharthy RD, Şenol H, Zhao X, Çakır F, Gomha SM, Shafiq Z.   +10 more
europepmc   +1 more source

Synthesis and Molecular Modeling of Antioxidant and Anti-Inflammatory Five-Membered Heterocycle-Cinnamic Acid Hybrids. [PDF]

Molecules
Theodoridis K, Charissopoulos E, Tsioumela D, Pontiki E.   +3 more
europepmc   +1 more source

Molecular Modeling and <i>In Vitro</i> Evaluation of Thioureas and Arylthioureas as Urease Inhibitors. [PDF]

ACS Omega
Fabris M, Camargo PG, Silva ML, Lima CHS, Albuquerque MG, Rodrigues CR, Nascimento-Júnior NM, Bispo MLF.   +7 more
europepmc   +1 more source

Molecular modeling analyses of functionalized cellulose. [PDF]

Sci Rep
Ezzat HA, El-Sayed NM, Shehata D, Elhaes H, Ibrahim A, Kalil H, Ibrahim MA, Yousef MM, Yahia IS, Zahran HY, Gomaa I.   +10 more
europepmc   +1 more source

Design, synthesis, and molecular modeling of novel thiazolopyridine-based inhibitors of enoyl acyl carrier protein reductase (InhA) as anti-<i>Mycobacterium tuberculosis</i> agents. [PDF]

RSC Med Chem
Sabt A, Korycka-Machała M, Kassem AF, Saleh AM, Farag H, Shaldam MA, Thabit MG, Brzostek A, Kuzioła M, Dziadek B, Ibrahim HAA, Lei X, Dziadek J, Abdelrahman MA.   +13 more
europepmc   +1 more source

Decoding the anticancer and biofilm-inhibiting efficacy of <i>Adansonia digitata</i> using experimental, AI-powered, and molecular modeling approaches. [PDF]

Front Mol Biosci
Pandi S, Kathiresan N, Kumar Subbaraj G, Desai D, Nagarajan C, Kulanthaivel L.   +5 more
europepmc   +1 more source

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Molecular modeling

Current Opinion in Chemical Biology, 1997
The past year has seen a maturation of molecular modeling, with an increasing number of comparative studies between established methods becoming possible, together with an explosion of new work especially in the areas of combinatorial chemistry and molecular diversity.
openaire   +2 more sources