Búsqueda | BVS CLAP/SMR-OPS/OMS

1.

Design, synthesis, molecular docking and molecular dynamics studies of novel triazolothiadiazine derivatives containing furan or thiophene rings as anticancer agents.

Osmaniye, Derya; Karaca, Sevval; Kurban, Berkant; Baysal, Merve; Ahmad, Iqrar; Patel, Harun; Özkay, Yusuf; Asim Kaplancikli, Zafer.

Bioorg Chem ; 122: 105709, 2022 05.

Artículo en Inglés | MEDLINE | ID: mdl-35255344

2.

Synthesis, molecular docking, DFT study, and in vitro antimicrobial activity of some 4-(biphenyl-4-yl)-1,4-dihydropyridine and 4-(biphenyl-4-yl)pyridine derivatives.

Malani, Alimamad; Makwana, Atul; Monapara, Jahnvi; Ahmad, Iqrar; Patel, Harun; Desai, Nisheeth.

J Biochem Mol Toxicol ; 35(11): e22903, 2021 Nov.

Artículo en Inglés | MEDLINE | ID: mdl-34459052

3.

Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC).

Pawara, Rahul; Ahmad, Iqrar; Nayak, Deepika; Wagh, Shivani; Wadkar, Avinash; Ansari, Azim; Belamkar, Sateesh; Surana, Sanjay; Nath Kundu, Chanakya; Patil, Chandragauda; Patel, Harun.

Bioorg Chem ; 115: 105234, 2021 10.

Artículo en Inglés | MEDLINE | ID: mdl-34399322

4.

Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations.

Zrieq, Rafat; Ahmad, Iqrar; Snoussi, Mejdi; Noumi, Emira; Iriti, Marcello; Algahtani, Fahad D; Patel, Harun; Saeed, Mohd; Tasleem, Munazzah; Sulaiman, Shadi; Aouadi, Kaïss; Kadri, Adel.

Int J Mol Sci ; 22(19)2021 Oct 02.

Artículo en Inglés | MEDLINE | ID: mdl-34639036

5.

Recent updates in natural terpenoids as potential anti-mycobacterial agents.

Jagatap, Vilas R; Ahmad, Iqrar; Patel, Harun M.

Indian J Tuberc ; 69(3): 282-304, 2022 Jul.

Artículo en Inglés | MEDLINE | ID: mdl-35760478

6.

p38α MAP kinase inhibitors to overcome EGFR tertiary C797S point mutation associated with osimertinib in non-small cell lung cancer (NSCLC): emergence of fourth-generation EGFR inhibitor.

Ahmad, Iqrar; Shaikh, Matin; Surana, Sanjay; Ghosh, Arabinda; Patel, Harun.

J Biomol Struct Dyn ; 40(7): 3046-3059, 2022 Apr.

Artículo en Inglés | MEDLINE | ID: mdl-33174519

7.

Investigating the Impact of Different Acrylamide (Electrophilic Warhead) on Osimertinib's Pharmacological Spectrum by Molecular Mechanic and Quantum Mechanic Approach.

Patel, Harun; Ahmad, Iqrar; Jadhav, Harsha; Pawara, Rahul; Lokwani, Deepak; Surana, Sanjay.

Comb Chem High Throughput Screen ; 25(1): 149-166, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-33280593

8.

Optimizing the Sunitinib for cardio-toxicity and thyro-toxicity by scaffold hopping approach.

Chaudhari, Bhagyashri; Patel, Harun; Thakar, Snehal; Ahmad, Iqrar; Bansode, Deepali.

In Silico Pharmacol ; 10(1): 10, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35791431

9.

Emerging Approaches to Overcome Acquired Drug Resistance Obstacles to Osimertinib in Non-Small-Cell Lung Cancer.

Shaikh, Matin; Shinde, Yashodeep; Pawara, Rahul; Noolvi, Malleshappa; Surana, Sanjay; Ahmad, Iqrar; Patel, Harun.

J Med Chem ; 65(2): 1008-1046, 2022 01 27.

Artículo en Inglés | MEDLINE | ID: mdl-34323489

10.

Structural modelling and in silico pharmacology of ß-carboline alkaloids as potent 5-HT1A receptor antagonists and reuptake inhibitors.

Ayipo, Yusuf Oloruntoyin; Alananzeh, Waleed A; Ahmad, Iqrar; Patel, Harun; Mordi, Mohd Nizam.

J Biomol Struct Dyn ; : 1-17, 2022 Jul 26.

Artículo en Inglés | MEDLINE | ID: mdl-35881145

11.

An Efficient Machine Learning-Based Feature Optimization Model for the Detection of Dyslexia.

Ahmad, Nazir; Rehman, Mohammed Burhanur; El Hassan, Hatim Mohammed; Ahmad, Iqrar; Rashid, Mamoon.

Comput Intell Neurosci ; 2022: 8491753, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35855801

12.

Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1,3,4-oxadiazole linked benzimidazoles as anticancer agents and aromatase inhibitors.

Acar Çevik, Ulviye; Celik, Ismail; Isik, Aysen; Ahmad, Iqrar; Patel, Harun; Özkay, Yusuf; Kaplancikli, Zafer Asim.

J Biomol Struct Dyn ; : 1-15, 2022 Jan 17.

Artículo en Inglés | MEDLINE | ID: mdl-35037830

13.

Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: in silico study.

Ayipo, Yusuf Oloruntoyin; Ahmad, Iqrar; Najib, Yahaya Sani; Sheu, Sikirat Kehinde; Patel, Harun; Mordi, Mohd Nizam.

J Biomol Struct Dyn ; : 1-19, 2022 Jan 17.

Artículo en Inglés | MEDLINE | ID: mdl-35037841

14.

Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors.

Boulaamane, Yassir; Ahmad, Iqrar; Patel, Harun; Das, Niloy; Britel, Mohammed Reda; Maurady, Amal.

J Biomol Struct Dyn ; : 1-15, 2022 Feb 15.

Artículo en Inglés | MEDLINE | ID: mdl-35168478

15.

Synthesis, Molecular Modeling Study, and Quantum-Chemical-Based Investigations of Isoindoline-1,3-diones as Antimycobacterial Agents.

Ahmad, Iqrar; Pawara, Rahul H; Girase, Rukaiyya T; Pathan, Asama Y; Jagatap, Vilas R; Desai, Nisheeth; Ayipo, Yusuf Oloruntoyin; Surana, Sanjay J; Patel, Harun.

ACS Omega ; 7(25): 21820-21844, 2022 Jun 28.

Artículo en Inglés | MEDLINE | ID: mdl-35785272

16.

Potent Bioactive Compounds From Seaweed Waste to Combat Cancer Through Bioinformatics Investigation.

Bharadwaj, Kaushik Kumar; Ahmad, Iqrar; Pati, Siddhartha; Ghosh, Arabinda; Sarkar, Tanmay; Rabha, Bijuli; Patel, Harun; Baishya, Debabrat; Edinur, Hisham Atan; Abdul Kari, Zulhisyam; Ahmad Mohd Zain, Muhammad Rajaei; Wan Rosli, Wan Ishak.

Front Nutr ; 9: 889276, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35529456

17.

New Hope for Genome Editing in Cultivated Grasses: CRISPR Variants and Application.

Riaz, Asad; Kanwal, Farah; Ahmad, Iqrar; Ahmad, Shakeel; Farooq, Ayesha; Madsen, Claus Krogh; Brinch-Pedersen, Henrik; Bekalu, Zelalem Eshetu; Dai, Fei; Zhang, Guoping; Alqudah, Ahmad M.

Front Genet ; 13: 866121, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35923689

18.

Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors.

Ahmad, Iqrar; Kumar, Dileep; Patel, Harun.

J Biomol Struct Dyn ; : 1-13, 2021 May 10.

Artículo en Inglés | MEDLINE | ID: mdl-33970806

19.

The Mur Enzymes Chink in the Armour of Mycobacterium tuberculosis cell wall.

Shinde, Yashodeep; Ahmad, Iqrar; Surana, Sanjay; Patel, Harun.

Eur J Med Chem ; 222: 113568, 2021 Oct 15.

Artículo en Inglés | MEDLINE | ID: mdl-34118719

20.

Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation.

Pawara, Rahul; Ahmad, Iqrar; Surana, Sanjay; Patel, Harun.

In Silico Pharmacol ; 9(1): 54, 2021.

Artículo en Inglés | MEDLINE | ID: mdl-34631361

BVS CLAP/SMR-OPS/OMS

Centro Latinoamericano de Perinatología, Salud de la Mujer y Reproductiva

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