203 related articles for article (PubMed ID: 37783745)
1. Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin derivatives.
Akash S; Bayıl I; Hossain MS; Islam MR; Hosen ME; Mekonnen AB; Nafidi HA; Bin Jardan YA; Bourhia M; Bin Emran T
Sci Rep; 2023 Oct; 13(1):16565. PubMed ID: 37783745
[TBL] [Abstract][Full Text] [Related]
2. Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study.
Kumer A; Chakma U; Rana MM; Chandro A; Akash S; Elseehy MM; Albogami S; El-Shehawi AM
Molecules; 2022 Jun; 27(12):. PubMed ID: 35744817
[TBL] [Abstract][Full Text] [Related]
3. A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives.
Akash S; Aovi FI; Azad MAK; Kumer A; Chakma U; Islam MR; Mukerjee N; Rahman MM; Bayıl I; Rashid S; Sharma R
PLoS One; 2023; 18(10):e0283271. PubMed ID: 37824496
[TBL] [Abstract][Full Text] [Related]
4. Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies.
Abdizadeh R; Hadizadeh F; Abdizadeh T
J Biomol Struct Dyn; 2023; 41(13):5915-5945. PubMed ID: 35848354
[TBL] [Abstract][Full Text] [Related]
5. A combined
Guendouzi A; Belkhiri L; Guendouzi A; Derouiche TMT; Djekoun A
J Biomol Struct Dyn; 2024; 42(1):119-133. PubMed ID: 36995063
[TBL] [Abstract][Full Text] [Related]
6. Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency.
Muhammad S; Zahir N; Bibi S; Alshahrani MY; Shafiq-urRehman ; Chaudhry AR; Sarwar F; Tousif MI
Comput Biol Chem; 2024 Apr; 109():108020. PubMed ID: 38286082
[TBL] [Abstract][Full Text] [Related]
7. Design, synthesis, and bioevaluation of novel unsaturated cyanoacetamide derivatives: In vitro and in silico exploration.
Uddin KM; Meem MH; Akter M; Rahman S; Al-Gawati MA; Alarifi N; Albrithen H; Alodhayb A; Poirier RA; Bhuiyan MMH
MethodsX; 2024 Jun; 12():102691. PubMed ID: 38660042
[TBL] [Abstract][Full Text] [Related]
8. Efficient Antibacterial/Antifungal Activities: Synthesis, Molecular Docking, Molecular Dynamics, Pharmacokinetic, and Binding Free Energy of Galactopyranoside Derivatives.
Ahmmed F; Islam AU; Mukhrish YE; Bakri YE; Ahmad S; Ozeki Y; Kawsar SMA
Molecules; 2022 Dec; 28(1):. PubMed ID: 36615413
[TBL] [Abstract][Full Text] [Related]
9. Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5'-
Munia NS; Hosen MA; Azzam KMA; Al-Ghorbani M; Baashen M; Hossain MK; Ali F; Mahmud S; Shimu MSS; Almalki FA; Hadda TB; Laaroussi H; Naimi S; Kawsar SMA
Nucleosides Nucleotides Nucleic Acids; 2022; 41(10):1036-1083. PubMed ID: 35797068
[TBL] [Abstract][Full Text] [Related]
10. Active site-specific quantum tunneling of hACE2 receptor to assess its complexing poses with selective bioactive compounds in co-suppressing SARS-CoV-2 influx and subsequent cardiac injury.
Nipun TS; Ema TI; Mia MAR; Hossen MS; Arshe FA; Ahmed SZ; Masud A; Taheya FF; Khan AA; Haque F; Azad SA; Al Hasibuzzaman M; Tanbir M; Anis S; Akter S; Mily SJ; Dey D
J Adv Vet Anim Res; 2021 Dec; 8(4):540-556. PubMed ID: 35106293
[TBL] [Abstract][Full Text] [Related]
11. Molecular Docking and Dynamics Simulation of Natural Compounds from Betel Leaves (
Ahmed S; Ali MC; Ruma RA; Mahmud S; Paul GK; Saleh MA; Alshahrani MM; Obaidullah AJ; Biswas SK; Rahman MM; Rahman MM; Islam MR
Molecules; 2022 Jul; 27(14):. PubMed ID: 35889399
[No Abstract] [Full Text] [Related]
12. Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus Protease.
Fadaka AO; Sibuyi NRS; Martin DR; Klein A; Madiehe A; Meyer M
Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502340
[TBL] [Abstract][Full Text] [Related]
13. Molecular Docking, G-QSAR Studies, Synthesis and Anticancer Screening of Some New 2-Phenazinamines as Bcr-Abl Tyrosine Kinase Inhibitors.
Kale MA; Sonwane GM
Curr Drug Discov Technol; 2020; 17(2):213-224. PubMed ID: 30210004
[TBL] [Abstract][Full Text] [Related]
14.
Akash S; Islam MR; Bhuiyan AA; Islam MN; Bayıl I; Saleem RM; Albadrani GM; Al-Ghadi MQ; Abdel-Daim MM
Front Oncol; 2024; 14():1360745. PubMed ID: 38746675
[TBL] [Abstract][Full Text] [Related]
15. Lead optimization of
Ojo OA; Adegboyega AE; Taiwo OA; Olowosoke CB; Johnson GI; Umedum NL; Onuh K; Adeduro MN; Nwobodo VO; Elekan AO; Alemika TE; Johnson TO
J Biomol Struct Dyn; 2023 Dec; ():1-15. PubMed ID: 38109128
[TBL] [Abstract][Full Text] [Related]
16. Identification of apigenin-4'-glucoside as bacterial DNA gyrase inhibitor by QSAR modeling, molecular docking, DFT, molecular dynamics, and in vitro confirmation studies.
Harini M; Kavitha K; Prabakaran V; Krithika A; Dinesh S; Rajalakshmi A; Suresh G; Puvanakrishnan R; Ramesh B
J Mol Model; 2024 Jan; 30(1):22. PubMed ID: 38170229
[TBL] [Abstract][Full Text] [Related]
17. Computer-assisted drug discovery of potential natural inhibitors of the SARS-CoV-2 RNA-dependent RNA polymerase through a multi-phase
Elkaeed EB; Alsfouk BA; Ibrahim TH; Arafa RK; Elkady H; Ibrahim IM; Eissa IH; Metwaly AM
Antivir Ther; 2023 Oct; 28(5):13596535231199838. PubMed ID: 37669909
[TBL] [Abstract][Full Text] [Related]
18. Computer-based identification of olive oil components as a potential inhibitor of neirisaral adhesion a regulatory protein.
Al-Shuaeeb RAA; Yassin AA; Ibrahim MAA; Abd El-Mageed HR; Ghandour MA; Khalil MM
J Biomol Struct Dyn; 2023 Mar; 41(5):1553-1560. PubMed ID: 34974817
[No Abstract] [Full Text] [Related]
19. A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19.
Muhammad S; Maqbool MF; Al-Sehemi AG; Iqbal A; Khan M; Ullah S; Khan MT
Braz J Biol; 2021; 83():e247604. PubMed ID: 34495156
[TBL] [Abstract][Full Text] [Related]
20. Delineating Pixantrone Maleate's adroit activity against cervical cancer proteins through multitargeted docking-based MM\GBSA, QM-DFT and MD simulation.
Almasoudi HH; Nahari MH; Alhazmi AYM; Almasabi SHA; Al-Mansour FSH; Hakami MA
PLoS One; 2023; 18(12):e0295714. PubMed ID: 38100507
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
