Results 81 to 90 of about 1,944,029 (193)

Molecular docking, prediction of drug-likeness properties, and toxicity risk assessment of compounds from Cinnamomum zeylanicum as inhibitors of Dengue DEN2 NS2B/NS3.

Chempublish Journal
Dengue hemorrhagic fever (DHF) is a serious mosquito-borne disease caused by the dengue virus, most often transmitted by the bite of female Aedes aegypti mosquitoes.
Neni Frimayanti, Armon Fernando, Rizka I’zaa Rahmah, Benni Iskandar   +3 more
doaj   +1 more source

Antiplasmodial Activity of The Low Molecular Weight Compounds from Streptomyces sp. GMR22

Indonesian Journal of Pharmacy, 2020
Low molecular weight (LMW) antiplasmodial compounds isolated from bacteria, particularly Streptomyces have not been widely reported. This study aimed to identify LMW compounds from Streptomyces sp. GMR22 as antiplasmodial.
Tarsa Ruli Tambunan, Jaka Widada, Ema Damayanti, Tutik Dwi Wahyuningsih, Mustofa Mustofa   +4 more
doaj   +1 more source

Drug-Likeness, Pharmacokinetics, and Toxicity Prediction of Phytotoxic Terpenoids

Proceedings
Terpenoids constitute one of the most widespread phytoconstituents, with complex chemical structures, a plurality of biological activities, and variable pharmacokinetic profiles. The emerging roles of terpenoids in drug design require an understanding of
Obinna Kenneth Didigwu, Charles Okeke Nnadi   +1 more
doaj   +1 more source

Ultrasonic-assisted Lossen rearrangment of N-phenylsulfonyloxy succinimide: synthesis, and in silico ADME predictions pharmacokinetics, and druglikenes of 3-ureidopropanamide derivatives & pyrimidine-2,4-diol derivative

Discover Chemistry
N-phenylsulfonyloxy succinimide 2 was synthesized in 75% yield and used as a building block in the synthesis of N,N ’ -disubstituted urea derivatives. Sonication of compound 2 with amines namely propylamine, allylamine, aniline and hydrazine in one-pot ...
Mahmoud Farouk, Salman A. H. Alrokayan, Ahamad Imran, Salsabil Mahmoud, Sama Mahmoud   +4 more
doaj   +1 more source

Angular Phenozaxine Ethers as Potent Multi-microbial Targets Inhibitors: Design, Synthesis, and Molecular Docking Studies

Frontiers in Chemistry, 2017
The reaction of diaza-5H-benzo[a]phenoxazin-5-one and 5H-benzo[a]phenoxazin-5-one with various phenols catalyzed by Pd/t-BuXPhos/K3PO4 system gave previously unknown ether derivatives (7a–f and 8a–f) in good yields. UV-visible, FTIR, and 1H NMR data were
Mercy A. Ezeokonkwo, Onyinyechi N. Ogbonna, Sunday N. Okafor, Evelyn U. Godwin-Nwakwasi, Fidelia N. Ibeanu, Uchechukwu C. Okoro   +5 more
doaj   +1 more source

Computational Drug-Likeness Studies of Selected Thiosemicarbazones: A Sustainable Approach for Drug Designing

Engineering Proceedings
Drug intake, its absorption in the body, removal, and various side effects are factors considered when designing the drugs. Here, the in silico tools act as virtual shortcuts, assisting in the prediction of several important physicochemical properties ...
Ekhlakh Veg, Kulsum Hashmi, Satya, Seema Joshi, Tahmeena Khan   +4 more
doaj   +1 more source

drug-likeness

Citation: 'drug-likeness' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11438 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Exploring the Therapeutic Potential of Phytochemicals as Plasminogen Activator Inhibitor-1 Inhibitors: A Computational Study [PDF]

Journal of Advanced Pharmacy Research
The search for new, effective therapeutic agents from natural sources has become a central focus in modern drug discovery. This study aimed to identify potential Plasminogen Activator Inhibitor-1 (PAI-1) inhibitors from natural sources using a purely in ...
Dima joujeh, Mohammad Aabed, Mohammed Alsarakbi, Abdalwhab Alrhmon   +3 more
doaj   +1 more source

'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug libraries

, 2009
Present drug screening libraries are constrained by biophysical properties that predict desirable pharmacokinetics and structural descriptors of 'drug-likeness' or 'lead-likeness'.
Dobson, Paul D., Patel, Yogendra, Kell, Douglas B.   +2 more
core   +1 more source

Classifying "drug-likeness" with kernel-based learning methods

, 2005
In this article we report about a successful application of modern machine learning technology, namely Support Vector Machines, to the problem of assessing the 'drug-likeness' of a chemical from a given set of descriptors of the substance.
Grimm, M., Sonnenburg, S., Heinrich, N., Rätsch, G., Müller, K., Mika, S., Müller, K.-R.   +6 more
core   +3 more sources