Results 171 to 180 of about 94,628 (218)

In silico evaluation of the anti Helicobacter pylori activity of selected bioactive compounds from Aloe vera. [PDF]

Sci Rep
Edet UO, Imalele EE, Eltayb WA, Bebia G, Awadalla ME, Eyo AA, Alahmadi RM, Edet B, Nwaokorie F, Abdalla M.   +9 more
europepmc   +1 more source

ADMET and DMPK

, 2016
openaire   +1 more source

Computational study of ADME-Tox prediction of selected phytochemicals from Punica granatum peels

Open Chemistry
Batool Aneeqa, Parveen Shagufta, Shafiq Nusrat, Rashid Maryam, Salamatullah Ahmad Mohammad, Ibenmoussa Samir, Bourhia Mohammed   +6 more
doaj   +1 more source

Integrative single-cell transcriptomic analysis reveals immunomodulatory hub genes and candidate compounds for HIV-associated chronic inflammation. [PDF]

Virol J
Hasan MI, Mummidi S, Teufel AI.
europepmc   +1 more source

Identification and in silico evaluation of natural compounds from Annona muricata (soursop) leaves for colon cancer treatment. [PDF]

Sci Rep
Ali MY, Asha AJ, Riti FA, Nayeem SM, Rudro RH, Sarkar NK, Ali MM, Ahmmed T, Jamal MAHM, Haque J, Younous YA, Al Mughram MH, Alyami EM.   +12 more
europepmc   +1 more source

Integrative experimental and computational dataset for repurposed antibiofilm drug candidates targeting quorum sensing. [PDF]

Data Brief
Omar AM, Mohammad KA, Almalki M, Abulnaja KO, Ibrahim SRM.   +4 more
europepmc   +1 more source

Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction. [PDF]

Brief Bioinform
Zhang J, Li H, Zhang Y, Huang J, Ren L, Zhang C, Zou Q, Zhang Y.   +7 more
europepmc   +1 more source

Integrated Machine Learning and Structure-Based Virtual Screening Identifies Natural Product Targeting 50S Ribosome Inhibitory Activity Against <i>Cutibacterium acnes</i>. [PDF]

Molecules
Liu J, Tong HHY, Zheng H, Lei MIF, Li S.
europepmc   +1 more source

High-throughput in vitro screening and in silico analysis for Zika virus inhibitor identification. [PDF]

Sci Rep
Batool S, Chokkakula S, Kim BK, Park JH, Min SC, Lee JR, Lee GC, Lee DG, An SH, Jain A, Shin SC, Kim G, Jeon B, Baek YH, Song MS.   +14 more
europepmc   +1 more source

Synthesis of unprotected thienyl sulfonamides and their activities against carbapenem-resistant <i>Klebsiella pneumoniae</i>, docking studies and ADMET analysis. [PDF]

RSC Adv
Bilal M, Noreen M, Usman Qamar M, Siddique F, Rasool N, Imran M.   +5 more
europepmc   +1 more source