254 related articles for article (PubMed ID: 37824496)
1. 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]
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. Anti-viral drug discovery against monkeypox and smallpox infection by natural curcumin derivatives: A Computational drug design approach.
Akash S; Hossain A; Hossain MS; Rahman MM; Ahmed MZ; Ali N; Valis M; Kuca K; Sharma R
Front Cell Infect Microbiol; 2023; 13():1157627. PubMed ID: 37033493
[TBL] [Abstract][Full Text] [Related]
4. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
[TBL] [Abstract][Full Text] [Related]
5. Quantum evaluation and therapeutic activity of (E)-N-(4-methoxyphenyl)-2-(4-(3-oxo-3-phenylprop-1-en-1-yl) phenoxy)acetamide and its modified derivatives against EGFR and VEGFR-2 in the treatment of triple-negative cancer via in silico approach.
Ipinloju N; Ibrahim A; da Costa RA; Adigun TB; Olubode SO; Abayomi KJ; Aiyelabegan AO; Esan TO; Muhammad SA; Oyeneyin OE
J Mol Model; 2023 Apr; 29(5):159. PubMed ID: 37099048
[TBL] [Abstract][Full Text] [Related]
6. Exploring the potential of approved drugs for triple-negative breast cancer treatment by targeting casein kinase 2: Insights from computational studies.
Shoaib TH; Ibraheem W; Abdelrahman M; Osman W; Sherif AE; Ashour A; Ibrahim SRM; Ghazawi KF; Miski SF; Almadani SA; ALsiyud DF; Mohamed GA; Alzain AA
PLoS One; 2023; 18(8):e0289887. PubMed ID: 37578958
[TBL] [Abstract][Full Text] [Related]
7.
Sehrawat R; Rathee P; Rathee P; Khatkar S; Akkol EK; Khatkar A; Sobarzo-Sánchez E
Front Pharmacol; 2023; 14():1266833. PubMed ID: 38152692
[No Abstract] [Full Text] [Related]
8. 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]
9. 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]
10. A novel imidazole-based azo molecule: synthesis, characterization, quantum chemical calculations, molecular docking, molecular dynamics simulations and ADMET properties.
Karabacak Atay Ç; Dilek Ö; Tilki T; Dede B
J Mol Model; 2023 Jul; 29(8):226. PubMed ID: 37405575
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Alpha-mangostin as an inhibitor of GSK3β in triple-negative breast cancer.
Dewi C; Fristiohady A; Amalia R; Bunggulawa EJ; Muchtaridi M
J Biomol Struct Dyn; 2023 Jul; 41(10):4515-4521. PubMed ID: 35465844
[TBL] [Abstract][Full Text] [Related]
13. Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques.
Quayum ST; Esha NJI; Siraji S; Abbad SSA; Alsunaidi ZHA; Almatarneh MH; Rahman S; Alodhayb AN; Alibrahim KA; Kawsar SMA; Uddin KM
MethodsX; 2024 Jun; 12():102537. PubMed ID: 38299040
[TBL] [Abstract][Full Text] [Related]
14. Integrated virtual screening and molecular dynamics simulation approaches revealed potential natural inhibitors for DNMT1 as therapeutic solution for triple negative breast cancer.
Bashir Y; Noor F; Ahmad S; Tariq MH; Qasim M; Tahir Ul Qamar M; Almatroudi A; Allemailem KS; Alrumaihi F; Alshehri FF
J Biomol Struct Dyn; 2024; 42(3):1099-1109. PubMed ID: 37021492
[TBL] [Abstract][Full Text] [Related]
15. Docking and Molecular Dynamics Simulation Revealed the Potential Inhibitory Activity of Amygdalin in Triple-Negative Breast Cancer Therapeutics Targeting the BRCT Domain of BARD1 Receptor.
Chatterjee P; Karn R; Emerson IA; Banerjee S
Mol Biotechnol; 2024 Apr; 66(4):718-736. PubMed ID: 36732462
[TBL] [Abstract][Full Text] [Related]
16. Anti-parasitic drug discovery against
Akash S; Hosen ME; Mahmood S; Supti SJ; Kumer A; Sultana S; Jannat S; Bayıl I; Nafidi HA; Jardan YAB; Mekonnen AB; Bourhia M
Front Cell Infect Microbiol; 2023; 13():1222913. PubMed ID: 37662005
[TBL] [Abstract][Full Text] [Related]
17. Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational study.
Priyankha S; Rajapandian V; Palanisamy K; Esther Rubavathy SM; Thilagavathi R; Selvam C; Prakash M
J Biomol Struct Dyn; 2024 Mar; 42(5):2667-2680. PubMed ID: 37154583
[TBL] [Abstract][Full Text] [Related]
18. Cinnamaldehyde, Cinnamic Acid, and Cinnamyl Alcohol, the Bioactives of
Patil M; Choudhari AS; Pandita S; Islam MA; Raina P; Kaul-Ghanekar R
Pharmacogn Mag; 2017 Oct; 13(Suppl 3):S645-S651. PubMed ID: 29142427
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Network metrics, structural dynamics and density functional theory calculations identified a novel Ursodeoxycholic Acid derivative against therapeutic target Parkin for Parkinson's disease.
Naha A; Banerjee S; Debroy R; Basu S; Ashok G; Priyamvada P; Kumar H; Preethi AR; Singh H; Anbarasu A; Ramaiah S
Comput Struct Biotechnol J; 2022; 20():4271-4287. PubMed ID: 36051887
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]