Works matching IS 13811991 AND DT 2023 AND VI 27 AND IP 4

Results: 26

Designing a novel SOX9 based multi-epitope vaccine to combat metastatic triple-negative breast cancer using immunoinformatics approach.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1829, doi. 10.1007/s11030-022-10539-w
By:
- Rajendran Krishnamoorthy, HemaNandini;
- Karuppasamy, Ramanathan
Publication type:
Article
Design, synthesis, and pharmacological evaluation of [1, 3] dioxolo-chromeno[2,3-b]pyridines as anti-seizure agents.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1809, doi. 10.1007/s11030-022-10538-x
By:
- Malathi, Visarapu;
- Sharon, Nissi;
- Padmaja, Pannala;
- Lokwani, Deepak;
- Khadse, Saurabh;
- Chaudhari, Prashant;
- Shirkhedkar, Atul A.;
- Reddy, Pedavenkatagari Narayana;
- Ugale, Vinod G.
Publication type:
Article
Quinoline derivatives volunteering against antimicrobial resistance: rational approaches, design strategies, structure activity relationship and mechanistic insights.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1905, doi. 10.1007/s11030-022-10537-y
By:
- Kumar, Nitish;
- Khanna, Aanchal;
- Kaur, Komalpreet;
- Kaur, Harmandeep;
- Sharma, Anchal;
- Bedi, Preet Mohinder Singh
Publication type:
Article
Exploration of NMI-MsCl mediated amide bond formation for the synthesis of novel 3,5-substituted-1,2,4-oxadiazole derivatives: synthesis, evaluation of anti-inflammatory activity and molecular docking studies.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1867, doi. 10.1007/s11030-022-10536-z
By:
- Kulkarni, B.;
- Manjunatha, K.;
- Joy, Muthipeedika Nibin;
- Sajith, Ayyiliath Meleveetil;
- Santra, Sougata;
- Zyryanov, Grigory V.;
- Prashantha, C. N.;
- Alshammari, Mohammed B.;
- Sunil, K.
Publication type:
Article
Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1795, doi. 10.1007/s11030-022-10534-1
By:
- Oyedele, Abdul-Quddus Kehinde;
- Ogunlana, Abdeen Tunde;
- Boyenle, Ibrahim Damilare;
- Ibrahim, Najahtulahi Opeyemi;
- Gbadebo, Ibrahim Olajide;
- Owolabi, Nurudeen Abiodun;
- Ayoola, Ashiru Mojeed;
- Francis, Ann Christopher;
- Eyinade, Olajumoke Habeebah;
- Adelusi, Temitope Isaac
Publication type:
Article
Magnetically recoverable Fe3O4 nanocatalyst for the synthesis of biodynamically significant 1H-pyrazolo[1,2-b]phthalazine-5,10-diones derivatives and its DFT study.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1853, doi. 10.1007/s11030-022-10532-3
By:
- Ansari, Mohd Danish;
- Sagir, Hozeyfa;
- Yadav, Vijay B.;
- Yadav, Neetu;
- Verma, Ankit;
- Shakya, Sonam;
- Singh, Manjit;
- Siddiqui, I. R.
Publication type:
Article
Catalyst-free synthesis of acenaphthoindolopyrimidine derivatives.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1785, doi. 10.1007/s11030-022-10531-4
By:
- Kakavand, Nahale;
- Bayat, Mohammad;
- Bayat, Yadollah
Publication type:
Article
Design, combinatorial synthesis and cytotoxic activity of 2-substituted furo[2,3-d]pyrimidinone and pyrrolo[2,3-d]pyrimidinone library.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1767, doi. 10.1007/s11030-022-10529-y
By:
- Song, Buer;
- Nie, Lifei;
- Bozorov, Khurshed;
- Kuryazov, Rustamkhon;
- Zhao, Jiangyu;
- Aisa, Haji Akber
Publication type:
Article
Synthesis and molecular docking of new N4-piperazinyl ciprofloxacin hybrids as antimicrobial DNA gyrase inhibitors.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1751, doi. 10.1007/s11030-022-10528-z
By:
- Mohammed, Hamada H. H.;
- Ali, Doaa Mohamed Elroby;
- Badr, Mohamed;
- Habib, Ahmed G. K.;
- Mahmoud, Abobakr Mohamed;
- Farhan, Sarah M.;
- Gany, Shimaa Salah Hassan Abd El;
- Mohamad, Soad A.;
- Hayallah, Alaa M.;
- Abbas, Samar H.;
- Abuo-Rahma, Gamal El-Din A.
Publication type:
Article
Novel bis-ureido-substituted sulfaguanidines and sulfisoxazoles as carbonic anhydrase and acetylcholinesterase inhibitors.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1735, doi. 10.1007/s11030-022-10527-0
By:
- Lolak, Nebih;
- Akocak, Süleyman;
- Durgun, Mustafa;
- Duran, Hatice Esra;
- Necip, Adem;
- Türkeş, Cüneyt;
- Işık, Mesut;
- Beydemir, Şükrü
Publication type:
Article
Synthesis and characterization of novel acyl hydrazones derived from vanillin as potential aldose reductase inhibitors.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1713, doi. 10.1007/s11030-022-10526-1
By:
- Demir, Yeliz;
- Tokalı, Feyzi Sinan;
- Kalay, Erbay;
- Türkeş, Cüneyt;
- Tokalı, Pelin;
- Aslan, Osman Nuri;
- Şendil, Kıvılcım;
- Beydemir, Şükrü
Publication type:
Article
Design and synthesis of benzimidazole derivatives as apoptosis-inducing agents by targeting Bcl-2 protein.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1703, doi. 10.1007/s11030-022-10524-3
By:
- Ilhan, Suleyman;
- Çamli Pulat, Çisil;
- Oguz, Ferdi;
- Bektaş, Hakan;
- Menteşe, Emre;
- Atmaca, Harika
Publication type:
Article
Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1879, doi. 10.1007/s11030-022-10523-4
By:
- Oyedele, Abdul-Quddus Kehinde;
- Ogunlana, Abdeen Tunde;
- Boyenle, Ibrahim Damilare;
- Adeyemi, Ayodeji Oluwadamilare;
- Rita, Temionu Oluwakemi;
- Adelusi, Temitope Isaac;
- Abdul-Hammed, Misbaudeen;
- Elegbeleye, Oluwabamise Emmanuel;
- Odunitan, Tope Tunji
Publication type:
Article
Identification of potential inhibitors of Zika virus targeting NS3 helicase using molecular dynamics simulations and DFT studies.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1689, doi. 10.1007/s11030-022-10522-5
By:
- Mishra, Shashank Shekher;
- Kumar, Neeraj;
- Karkara, Bidhu Bhusan;
- Sharma, C. S.;
- Kalra, Sourav
Publication type:
Article
How effective are ionization state-based QSPKR models at predicting pharmacokinetic parameters in humans?
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1675, doi. 10.1007/s11030-022-10520-7
By:
- Gomatam, Anish;
- Joseph, Blessy;
- Advani, Poonam;
- Shaikh, Mushtaque;
- Iyer, Krishna;
- Coutinho, Evans
Publication type:
Article
Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1661, doi. 10.1007/s11030-022-10519-0
By:
- Ibrahim, Mayar Tarek;
- Lee, Jiyong;
- Tao, Peng
Publication type:
Article
The regioselective one-pot four-component synthesis of novel functionalized 4H-pyrano[2, 3-b]quinoline derivatives using DABCO as a homogeneous organocatalyst.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1843, doi. 10.1007/s11030-022-10518-1
By:
- Heydari, Masumeh;
- Mohammadi, Ali Asghar;
- Mosleh, Mohammadreza
Publication type:
Article
β-Sitosterol could serve as a dual inhibitor of Trypanosoma congolense sialidase and phospholipase A2: in vitro kinetic analyses and molecular dynamic simulations.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1645, doi. 10.1007/s11030-022-10517-2
By:
- Aminu, Suleiman;
- Danazumi, Ammar Usman;
- Alhafiz, Zainab Aliyu;
- Gorna, Maria Wiktoria;
- Ibrahim, Mohammed Auwal
Publication type:
Article
Computational design of PD-L1 small molecule inhibitors for cancer therapy.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1633, doi. 10.1007/s11030-022-10516-3
By:
- Chandrasekaran, Jaikanth;
- Elumalai, Senthilkumar;
- Murugesan, Vidya;
- Kunjiappan, Selvaraj;
- Pavadai, Parasuraman;
- Theivendren, Panneerselvam
Publication type:
Article
Modeling of MT. P495, an mRNA-based vaccine against the phosphate-binding protein PstS1 of Mycobacterium tuberculosis.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1613, doi. 10.1007/s11030-022-10515-4
By:
- Shahrear, Sazzad;
- Islam, Abul Bashar Mir Md. Khademul
Publication type:
Article
Chemical similarity of molecules with physiological response.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1603, doi. 10.1007/s11030-022-10514-5
By:
- Redžepović, Izudin;
- Furtula, Boris
Publication type:
Article
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1587, doi. 10.1007/s11030-022-10513-6
By:
- Roy, Rajarshi;
- Sk, Md Fulbabu;
- Tanwar, Omprakash;
- Kar, Parimal
Publication type:
Article
Design, synthesis, graph theoretical analysis and molecular modelling studies of novel substituted quinoline analogues as promising anti-breast cancer agents.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1567, doi. 10.1007/s11030-022-10512-7
By:
- Dessai, Prachita Gauns;
- Dessai, Shivani Prabhu;
- Dabholkar, Renuka;
- Pednekar, Padmashree;
- Naik, Sahili;
- Mamledesai, Shivlingrao;
- Gopal, Murugananthan;
- Pavadai, Parasuraman;
- Kumar, Banoth Karan;
- Murugesan, Sankaranarayanan;
- Chandavarkar, Sachin;
- Theivendren, Panneerselvam;
- Selvaraj, Kunjiappan
Publication type:
Article
Discovery of newer pyrazole derivatives with potential anti-tubercular activity via 3D-QSAR based pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulation studies.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1547, doi. 10.1007/s11030-022-10511-8
By:
- Modi, Palmi;
- Patel, Shivani;
- Chhabria, Mahesh
Publication type:
Article
Progress in programmed cell death-1/programmed cell death-ligand 1 pathway inhibitors and binding mode analysis.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1935, doi. 10.1007/s11030-022-10509-2
By:
- Li, Xiaoyun;
- Zeng, Qin;
- Xu, Fengjiao;
- Jiang, Yuying;
- Jiang, Zhongmei
Publication type:
Article
Synthesis, antileishmanial activity and molecular modeling of new 1-aryl/alkyl-3-benzoyl/cyclopropanoyl thiourea derivatives.
Published in:
Molecular Diversity, 2023, v. 27, n. 4, p. 1531, doi. 10.1007/s11030-022-10508-3
By:
- Mohammadi-Ghalehbin, Behnam;
- Shiran, Jafar Abbasi;
- Gholizadeh, Nastaran;
- Razzaghi-Asl, Nima
Publication type:
Article

Works matching IS 13811991 AND DT 2023 AND VI 27 AND IP 4

Designing a novel SOX9 based multi-epitope vaccine to combat metastatic triple-negative breast cancer using immunoinformatics approach.

Design, synthesis, and pharmacological evaluation of [1, 3] dioxolo-chromeno[2,3-b]pyridines as anti-seizure agents.

Quinoline derivatives volunteering against antimicrobial resistance: rational approaches, design strategies, structure activity relationship and mechanistic insights.

Exploration of NMI-MsCl mediated amide bond formation for the synthesis of novel 3,5-substituted-1,2,4-oxadiazole derivatives: synthesis, evaluation of anti-inflammatory activity and molecular docking studies.

Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations.

Magnetically recoverable Fe<sub>3</sub>O<sub>4</sub> nanocatalyst for the synthesis of biodynamically significant 1H-pyrazolo[1,2-b]phthalazine-5,10-diones derivatives and its DFT study.

Catalyst-free synthesis of acenaphthoindolopyrimidine derivatives.

Design, combinatorial synthesis and cytotoxic activity of 2-substituted furo[2,3-d]pyrimidinone and pyrrolo[2,3-d]pyrimidinone library.

Synthesis and molecular docking of new N4-piperazinyl ciprofloxacin hybrids as antimicrobial DNA gyrase inhibitors.

Novel bis-ureido-substituted sulfaguanidines and sulfisoxazoles as carbonic anhydrase and acetylcholinesterase inhibitors.

Synthesis and characterization of novel acyl hydrazones derived from vanillin as potential aldose reductase inhibitors.

Design and synthesis of benzimidazole derivatives as apoptosis-inducing agents by targeting Bcl-2 protein.

Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.

Identification of potential inhibitors of Zika virus targeting NS3 helicase using molecular dynamics simulations and DFT studies.

How effective are ionization state-based QSPKR models at predicting pharmacokinetic parameters in humans?

Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening.

The regioselective one-pot four-component synthesis of novel functionalized 4H-pyrano[2, 3-b]quinoline derivatives using DABCO as a homogeneous organocatalyst.

β-Sitosterol could serve as a dual inhibitor of Trypanosoma congolense sialidase and phospholipase A<sub>2</sub>: in vitro kinetic analyses and molecular dynamic simulations.

Computational design of PD-L1 small molecule inhibitors for cancer therapy.

Modeling of MT. P495, an mRNA-based vaccine against the phosphate-binding protein PstS1 of Mycobacterium tuberculosis.

Chemical similarity of molecules with physiological response.

Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease.

Design, synthesis, graph theoretical analysis and molecular modelling studies of novel substituted quinoline analogues as promising anti-breast cancer agents.

Discovery of newer pyrazole derivatives with potential anti-tubercular activity via 3D-QSAR based pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulation studies.

Progress in programmed cell death-1/programmed cell death-ligand 1 pathway inhibitors and binding mode analysis.

Synthesis, antileishmanial activity and molecular modeling of new 1-aryl/alkyl-3-benzoyl/cyclopropanoyl thiourea derivatives.