Bioremediation of petroleum hydrocarbon by using Pseudomonas species isolated from petroleum contaminated soil V Kumar, S Singh, A Manhas, J Singh, S Singla, P Kaur, S Data, P Negi, ... Orient J Chem 30 (4), 1771-1776, 2014 | 39 | 2014 |
Designing, syntheses, characterization, computational study and biological activities of silver-phenothiazine metal complex V Kumar, N Upadhyay, A Manhas Journal of Molecular Structure 1099, 135-141, 2015 | 34 | 2015 |
Complexation of trichlorosalicylic acid with alkaline and first row transition metals as a switch for their antibacterial activity V Kumar, M Chawla, L Cavallo, AB Wani, A Manhas, S Kaur, A Poater, ... Inorganica Chimica Acta 469, 379-386, 2018 | 27 | 2018 |
Identification of InhA inhibitors: A combination of virtual screening, molecular dynamics simulations and quantum chemical studies MY Lone, A Manhas, M Athar, PC Jha Journal of Biomolecular Structure and Dynamics 36 (11), 2951-2965, 2018 | 22 | 2018 |
Multicomplex-based pharmacophore modeling coupled with molecular dynamics simulations: An efficient strategy for the identification of novel inhibitors of PfDHODH A Manhas, MY Lone, PC Jha Journal of Molecular Graphics and Modelling 75, 413-423, 2017 | 21 | 2017 |
Identification of natural compound inhibitors against PfDXR: A hybrid structure‐based molecular modeling approach and molecular dynamics simulation studies A Manhas, D Patel, MY Lone, PC Jha Journal of Cellular Biochemistry 120 (9), 14531-14543, 2019 | 19 | 2019 |
Green and highly efficient MCR strategy for the synthesis of pyrimidine analogs in water via C–C and C–N bond formation and docking studies A Sethiya, J Soni, A Manhas, PC Jha, S Agarwal Research on Chemical Intermediates 47, 4477-4496, 2021 | 18 | 2021 |
Carbon-SO3H: An efficient catalyst for the synthesis of biscoumarin under ambient reaction conditions and their in silico studies A Sethiya, P Teli, A Manhas, D Agarwal, J Soni, N Sahiba, P Jha, ... Synthetic Communications 50 (16), 2440-2460, 2020 | 17 | 2020 |
Synthesis and characterization of mononuclear Zn complex, immobilized on ordered mesoporous silica and their tunable catalytic properties M Pandey, D Jadav, A Manhas, S Kediya, N Tsunoji, R Kumar, S Das, ... Molecular Catalysis 525, 112365, 2022 | 15 | 2022 |
In search of the representative pharmacophore hypotheses of the enzymatic proteome of Plasmodium falciparum: a multicomplex-based approach A Manhas, MY Lone, PC Jha Molecular Diversity 23, 453-470, 2019 | 15 | 2019 |
Identification of PfENR inhibitors: A hybrid structure‐based approach in conjunction with molecular dynamics simulations A Manhas, A Patel, MY Lone, PK Jha, PC Jha Journal of Cellular Biochemistry 119 (10), 8490-8500, 2018 | 14 | 2018 |
Mechanochemical approach for the selective synthesis of 1, 2-disubstituted benzimidazoles and their molecular docking studies N Sahiba, DK Agarwal, A Manhas, A Sethiya, J Soni, PC Jha, S Agarwal Polycyclic Aromatic Compounds 42 (4), 1201-1219, 2022 | 13 | 2022 |
Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors A Manhas, MY Lone, PC Jha Journal of Biomolecular Structure and Dynamics, 2019 | 12 | 2019 |
In Silico Exploration of Vinca Domain Tubulin Inhibitors: A Combination of 3D‐QSAR‐Based Pharmacophore Modeling, Docking and Molecular Dynamics Simulations MY Lone, M Athar, A Manhas, PC Jha, S Bhatt, A Shah ChemistrySelect 2 (33), 10848-10853, 2017 | 10 | 2017 |
Molecular modeling of Plasmodium falciparum peptide deformylase and structure-based pharmacophore screening for inhibitors A Manhas, SP Kumar, PC Jha RSC advances 6 (35), 29466-29485, 2016 | 10 | 2016 |
Click chemistry‐inspired design, synthesis, and molecular docking studies of biscoumarin derivatives using carbon‐based acid catalyst DK Agarwal, A Sethiya, P Teli, A Manhas, J Soni, N Sahiba, PC Jha, ... Journal of Heterocyclic Chemistry 57 (9), 3294-3309, 2020 | 9 | 2020 |
Biscoumarin derivatives as potent anti-microbials: graphene oxide catalyzed eco-benign synthesis, biological evaluation and docking studies J Soni, N Sahiba, A Sethiya, P Teli, DK Agarwal, A Manhas, PC Jha, ... Polycyclic Aromatic Compounds 42 (6), 2970-2990, 2022 | 7 | 2022 |
DFT/TD‐DFT based study to decipher the proton transfer process in anion sensing mechanism of NTS molecule S Kediya, A Manhas, PC Jha ChemistrySelect 5 (18), 5437-5450, 2020 | 7 | 2020 |
Pharmacophore Modeling Approach in Drug Discovery Against the Tropical Infectious Disease Malaria A Manhas, S Kediya, PC Jha Frontiers in Computational Chemistry 6, 132-192, 2022 | 6 | 2022 |
A profound computational study to prioritize the natural compound inhibitors against the P. falciparum orotidine-5-monophosphate decarboxylase enzyme A Manhas, S Dubey, PC Jha Journal of Biomolecular Structure and Dynamics 38 (9), 2704-2716, 2020 | 6 | 2020 |